A0A077ZP79_TRITR Loading...

UV excision repair protein RAD23

Multiubiquitin chain receptor involved in modulation of proteasomal degradation. Involved in nucleotide excision repair.

AlphaFold DB , UniProt , Accession A0A077ZP79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.5Confident87.3Confident68 Ų6858 Ų5834%0.33534%0.335SS..  0134.50-174178-158.100108.8F17 E19 L63 E65M1-F17 PolarHBondContact N-O 2.76Å; M1-F17 PolarHBondContact O-N 2.85Å; M1-E19 HydrophobicContact CB-CG 4.39Å; M1-L63 HydrophobicContact CE-CB 4.28Å; M1-L63 WeakPolarHBondContact CE-O 3.18Å; M1-L63 HydrophobicContact SD-CB 4.37Å; M1-E65 HydrophobicContact CE-CG 3.67Å; M1-E65 HydrophobicContact CG-CG 4.11Å
2I86.3Confident87.5Confident76 Ų7658.6 Ų58.639%0.3935%0.352SS..EExtended strand (participates in β ladder)trans-89.9118.8177.5-59.3175.1000109K14I2-K14 HydrophobicContact CG2-CB 3.78Å; I2-K14 HydrophobicContact CG2-CD 4.12Å; I2-K14 HydrophobicContact CG2-CG 4.27Å
3V87.9Confident87.8Confident7 Ų755.5 Ų55.54%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-103.8126.5178-175.10000109.1F5 K14 I15 F17 L63 V69V3-F5 HydrophobicContact CB-CE2 3.6Å; V3-F5 HydrophobicContact CB-CZ 3.75Å; V3-F5 HydrophobicContact CG1-CD2 4.28Å; V3-F5 HydrophobicContact CG1-CE1 3.92Å; V3-F5 HydrophobicContact CG1-CE2 3.56Å; V3-F5 HydrophobicContact CG1-CZ 3.37Å; V3-F5 WeakPolarHBondContact O-CD2 3.35Å; V3-F5 WeakPolarHBondContact O-CE2 3.46Å; V3-K14 WeakPolarHBondContact O-CA 3.45Å; V3-I15 PolarHBondContact N-O 3.44Å; V3-I15 PolarHBondContact O-N 3.03Å; V3-F17 HydrophobicContact CB-CD2 4.22Å; V3-F17 HydrophobicContact CG2-CD2 4.1Å; V3-L63 HydrophobicContact CB-CD1 4.48Å; V3-L63 HydrophobicContact CG1-CD1 3.85Å; V3-L63 HydrophobicContact CG2-CD1 3.74Å; V3-V69 HydrophobicContact CG1-CG2 3.75Å
4T90.2Very high88Confident24 Ų2462.5 Ų62.515%0.14736%0.355CS..EExtended strand (participates in β ladder)trans-89120.9173.8-54.50000109F13 K14 F68 V69T4-F13 CarbonylContact C-O 3.59Å; T4-K14 HydrophobicContact CG2-CG 4.22Å; T4-F68 HydrophobicContact CG2-CB 4.07Å; T4-F68 CarbonylContact O-C 3.51Å; T4-F68 WeakPolarHBondContact O-CA 3.49Å; T4-F68 WeakPolarHBondContact O-CB 3.34Å; T4-V69 PolarHBondContact O-N 2.84Å
5F91.3Very high88Confident2 Ų258.9 Ų58.91%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-102.5141.7173-59.5-89.5000109.5V3 A12 F13 I15 F17 V26 I30 L45 V69V3-F5 HydrophobicContact CB-CE2 3.6Å; V3-F5 HydrophobicContact CB-CZ 3.75Å; V3-F5 HydrophobicContact CG1-CD2 4.28Å; V3-F5 HydrophobicContact CG1-CE1 3.92Å; V3-F5 HydrophobicContact CG1-CE2 3.56Å; V3-F5 HydrophobicContact CG1-CZ 3.37Å; V3-F5 WeakPolarHBondContact O-CD2 3.35Å; V3-F5 WeakPolarHBondContact O-CE2 3.46Å; F5-A12 CarbonylContact O-C 3.5Å; F5-A12 WeakPolarHBondContact O-CA 3.47Å; F5-F13 HydrophobicContact CB-CD1 4.32Å; F5-F13 HydrophobicContact CB-CD2 4.11Å; F5-F13 HydrophobicContact CB-CE1 3.93Å; F5-F13 HydrophobicContact CB-CE2 3.66Å; F5-F13 HydrophobicContact CB-CG 4.42Å; F5-F13 HydrophobicContact CB-CZ 3.58Å; F5-F13 HydrophobicContact CD2-CD2 4.23Å; F5-F13 AromaticContact CD2-CE2 3.89Å; F5-F13 HydrophobicContact CD2-CE2 3.89Å; F5-F13 AromaticContact CG-CE2 3.95Å; F5-F13 HydrophobicContact CG-CE2 3.95Å; F5-F13 HydrophobicContact CG-CZ 4.19Å; F5-F13 PolarHBondContact N-O 2.91Å; F5-F13 PolarHBondContact O-N 3.5Å; F5-I15 HydrophobicContact CE2-CB 4.13Å; F5-F17 HydrophobicContact CE2-CD2 4.21Å; F5-F17 AromaticContact CE2-CE2 3.53Å; F5-F17 HydrophobicContact CE2-CE2 3.53Å; F5-F17 HydrophobicContact CZ-CD2 4.17Å; F5-F17 AromaticContact CZ-CE2 3.53Å; F5-F17 HydrophobicContact CZ-CE2 3.53Å; F5-F17 HydrophobicContact CZ-CZ 4.39Å; F5-V26 HydrophobicContact CE1-CG1 3.89Å; F5-V26 HydrophobicContact CZ-CG1 3.73Å; F5-I30 HydrophobicContact CD1-CD1 3.82Å; F5-I30 HydrophobicContact CE1-CD1 3.65Å; F5-I30 HydrophobicContact CG-CD1 4.34Å; F5-I30 HydrophobicContact CZ-CD1 4.05Å; F5-L45 HydrophobicContact CD1-CD2 3.75Å; F5-L45 HydrophobicContact CE1-CD2 3.81Å; F5-V69 CarbonylContact C-O 3.58Å; F5-V69 VanDerWaalsContact CA-O 3.26Å; F5-V69 WeakPolarHBondContact CA-O 3.37Å; F5-V69 HydrophobicContact CD1-CB 3.87Å; F5-V69 HydrophobicContact CD1-CG1 4.21Å; F5-V69 HydrophobicContact CE1-CB 4.07Å; F5-V69 HydrophobicContact CE1-CG1 4.27Å; F5-V69 HydrophobicContact CE1-CG2 4.42Å
6K91.5Very high88.1Confident56 Ų5664.5 Ų64.524%0.24336%0.357CS..EExtended strand (participates in β ladder)trans-125120.4175.2-171.3169.2-175.9166.60109.8N10 E11 F68 V69 A70 L71K6-N10 WeakPolarHBondContact CE-ND2 3.41Å; K6-N10 WeakPolarHBondContact CE-OD1 3.35Å; K6-N10 PolarHBondContact NZ-ND2 3.08Å; K6-N10 PolarHBondContact NZ-OD1 3.18Å; K6-E11 CarbonylContact C-O 3.51Å; K6-E11 WeakPolarHBondContact CA-O 3.33Å; K6-F68 HydrophobicContact CB-CB 4.34Å; K6-F68 HydrophobicContact CB-CD2 3.67Å; K6-F68 HydrophobicContact CB-CE2 4.29Å; K6-F68 HydrophobicContact CB-CG 4.17Å; K6-F68 HydrophobicContact CD-CD2 4.17Å; K6-F68 HydrophobicContact CD-CE2 4.1Å; K6-F68 HydrophobicContact CD-CZ 4.43Å; K6-V69 PolarHBondContact N-O 3.15Å; K6-A70 CarbonylContact O-C 3.55Å; K6-A70 VanDerWaalsContact O-CA 3.3Å; K6-A70 WeakPolarHBondContact O-CA 3.22Å; K6-L71 PolarHBondContact O-N 3.26Å
7T90Very high87.9Confident9 Ų961.5 Ų61.56%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-76.5163.9179.569.20000111.2S9 N10 E11 F13 Y38 L71T7-S9 PolarHBondContact O-N 3.09Å; T7-S9 PolarHBondContact OG1-N 3.07Å; T7-N10 PolarHBondContact O-N 3.42Å; T7-E11 HydrophobicContact CG2-CB 4.39Å; T7-E11 PolarHBondContact N-O 3.48Å; T7-E11 WeakPolarHBondContact OG1-CB 3.43Å; T7-E11 PolarHBondContact OG1-N 3.36Å; T7-E11 PolarHBondContact OG1-O 2.92Å; T7-F13 HydrophobicContact CG2-CD1 4.24Å; T7-F13 HydrophobicContact CG2-CE1 3.59Å; T7-Y38 HydrophobicContact CG2-CE1 3.93Å; T7-Y38 WeakPolarHBondContact CG2-OH 3.18Å; T7-L71 WeakPolarHBondContact CA-O 3.24Å; T7-L71 HydrophobicContact CG2-CD2 4.41Å
8A85.5Confident87.7Confident81 Ų8164.7 Ų64.767%0.66936%0.356SS*.THydrogen-bonded Turntrans-56.7-28.7170.700000112.6N10 L71A8-N10 PolarHBondContact O-N 2.92Å; A8-L71 PolarHBondContact N-O 3.46Å
9S83.7Confident87.3Confident104 Ų10467.8 Ų67.873%0.72737%0.368SS*.THydrogen-bonded Turntrans-77.410.3176.7-49.50000114.1T7 E11T7-S9 PolarHBondContact O-N 3.09Å; T7-S9 PolarHBondContact OG1-N 3.07Å; S9-E11 PolarHBondContact O-N 3.49Å
10N84Confident87Confident116 Ų11671.4 Ų71.462%0.6239%0.386SS*.SBendtrans66.97.6-174.6-134.9-87000115.4K6 T7 A8K6-N10 WeakPolarHBondContact CE-ND2 3.41Å; K6-N10 WeakPolarHBondContact CE-OD1 3.35Å; K6-N10 PolarHBondContact NZ-ND2 3.08Å; K6-N10 PolarHBondContact NZ-OD1 3.18Å; T7-N10 PolarHBondContact O-N 3.42Å; A8-N10 PolarHBondContact O-N 2.92Å
11E87.8Confident87Confident95 Ų9569.5 Ų69.544%0.44438%0.377SS..  trans-77127.2175.5-168.4-177107.600109.9K6 T7 S9 K34K6-E11 CarbonylContact C-O 3.51Å; K6-E11 WeakPolarHBondContact CA-O 3.33Å; T7-E11 HydrophobicContact CG2-CB 4.39Å; T7-E11 PolarHBondContact N-O 3.48Å; T7-E11 WeakPolarHBondContact OG1-CB 3.43Å; T7-E11 PolarHBondContact OG1-N 3.36Å; T7-E11 PolarHBondContact OG1-O 2.92Å; S9-E11 PolarHBondContact O-N 3.49Å; E11-K34 IonicContact OE1-NZ 2.83Å; E11-K34 PolarHBondContact OE1-NZ 2.93Å
12A88.9Confident87.4Confident65 Ų6568.2 Ų68.254%0.53737%0.373SS..EExtended strand (participates in β ladder)trans-110.5135.317700000110.9F5F5-A12 CarbonylContact O-C 3.5Å; F5-A12 WeakPolarHBondContact O-CA 3.47Å
13F91.2Very high87.5Confident19 Ų1964.7 Ų64.78%0.08336%0.355CS..EExtended strand (participates in β ladder)trans-139.6154176.658.8-87000110.3T4 F5 T7 I15 I30 K34T4-F13 CarbonylContact C-O 3.59Å; F5-F13 HydrophobicContact CB-CD1 4.32Å; F5-F13 HydrophobicContact CB-CD2 4.11Å; F5-F13 HydrophobicContact CB-CE1 3.93Å; F5-F13 HydrophobicContact CB-CE2 3.66Å; F5-F13 HydrophobicContact CB-CG 4.42Å; F5-F13 HydrophobicContact CB-CZ 3.58Å; F5-F13 HydrophobicContact CD2-CD2 4.23Å; F5-F13 AromaticContact CD2-CE2 3.89Å; F5-F13 HydrophobicContact CD2-CE2 3.89Å; F5-F13 AromaticContact CG-CE2 3.95Å; F5-F13 HydrophobicContact CG-CE2 3.95Å; F5-F13 HydrophobicContact CG-CZ 4.19Å; F5-F13 PolarHBondContact N-O 2.91Å; F5-F13 PolarHBondContact O-N 3.5Å; T7-F13 HydrophobicContact CG2-CD1 4.24Å; T7-F13 HydrophobicContact CG2-CE1 3.59Å; F13-I15 HydrophobicContact CD2-CD1 3.81Å; F13-I15 HydrophobicContact CD2-CG1 3.88Å; F13-I15 HydrophobicContact CE2-CD1 3.59Å; F13-I15 HydrophobicContact CE2-CG1 4.14Å; F13-I30 HydrophobicContact CE2-CG1 4.37Å; F13-I30 HydrophobicContact CE2-CG2 4.23Å; F13-I30 HydrophobicContact CZ-CG2 3.99Å; F13-K34 HydrophobicContact CD1-CD 4.41Å; F13-K34 HydrophobicContact CD2-CG 4.45Å; F13-K34 HydrophobicContact CE1-CD 4.41Å; F13-K34 HydrophobicContact CE1-CG 4.21Å; F13-K34 HydrophobicContact CE2-CG 4.07Å; F13-K34 HydrophobicContact CZ-CG 3.92Å
14K91.3Very high87.5Confident153 Ų15370.3 Ų70.367%0.66538%0.379SS*.EExtended strand (participates in β ladder)trans-116.8128.6-176.5-65-177.4-179.6-178.40108.9I2 V3 T4I2-K14 HydrophobicContact CG2-CB 3.78Å; I2-K14 HydrophobicContact CG2-CD 4.12Å; I2-K14 HydrophobicContact CG2-CG 4.27Å; V3-K14 WeakPolarHBondContact O-CA 3.45Å; T4-K14 HydrophobicContact CG2-CG 4.22Å
15I87.9Confident87.5Confident8 Ų873 Ų734%0.04139%0.392CS..EExtended strand (participates in β ladder)trans-125.6139.2175.6-58.2177.6000107.9V3 F5 F13 F17 K29 I30 E33V3-I15 PolarHBondContact N-O 3.44Å; V3-I15 PolarHBondContact O-N 3.03Å; F5-I15 HydrophobicContact CE2-CB 4.13Å; F13-I15 HydrophobicContact CD2-CD1 3.81Å; F13-I15 HydrophobicContact CD2-CG1 3.88Å; F13-I15 HydrophobicContact CE2-CD1 3.59Å; F13-I15 HydrophobicContact CE2-CG1 4.14Å; I15-F17 HydrophobicContact CB-CD2 4.22Å; I15-F17 HydrophobicContact CB-CE2 3.55Å; I15-F17 HydrophobicContact CB-CZ 4.07Å; I15-F17 HydrophobicContact CG2-CD2 4Å; I15-F17 HydrophobicContact CG2-CE1 4.18Å; I15-F17 HydrophobicContact CG2-CE2 3.38Å; I15-F17 HydrophobicContact CG2-CZ 3.48Å; I15-F17 VanDerWaalsContact CG2-CZ 3.48Å; I15-K29 HydrophobicContact CG2-CG 4.23Å; I15-I30 HydrophobicContact CD1-CG1 3.91Å; I15-E33 HydrophobicContact CD1-CB 4.01Å; I15-E33 HydrophobicContact CD1-CG 4.12Å; I15-E33 HydrophobicContact CG1-CG 4.45Å
16E88.9Confident87.4Confident149 Ų14972.9 Ų72.970%0.69639%0.392SS*.EExtended strand (participates in β ladder)trans-85.1128.6175.4-172.3169.192.600110.4
17F85.9Confident87.3Confident13 Ų1371.6 Ų71.66%0.05739%0.386CS..  trans-132.1148.9177.6-69.8-76.5000111.4M1 V3 F5 I15 V21 V26 K29 L58M1-F17 PolarHBondContact N-O 2.76Å; M1-F17 PolarHBondContact O-N 2.85Å; V3-F17 HydrophobicContact CB-CD2 4.22Å; V3-F17 HydrophobicContact CG2-CD2 4.1Å; F5-F17 HydrophobicContact CE2-CD2 4.21Å; F5-F17 AromaticContact CE2-CE2 3.53Å; F5-F17 HydrophobicContact CE2-CE2 3.53Å; F5-F17 HydrophobicContact CZ-CD2 4.17Å; F5-F17 AromaticContact CZ-CE2 3.53Å; F5-F17 HydrophobicContact CZ-CE2 3.53Å; F5-F17 HydrophobicContact CZ-CZ 4.39Å; I15-F17 HydrophobicContact CB-CD2 4.22Å; I15-F17 HydrophobicContact CB-CE2 3.55Å; I15-F17 HydrophobicContact CB-CZ 4.07Å; I15-F17 HydrophobicContact CG2-CD2 4Å; I15-F17 HydrophobicContact CG2-CE1 4.18Å; I15-F17 HydrophobicContact CG2-CE2 3.38Å; I15-F17 HydrophobicContact CG2-CZ 3.48Å; I15-F17 VanDerWaalsContact CG2-CZ 3.48Å; F17-V21 HydrophobicContact CD1-CG1 4.4Å; F17-V26 HydrophobicContact CD1-CG2 3.87Å; F17-V26 HydrophobicContact CD2-CG2 4.49Å; F17-V26 HydrophobicContact CE1-CB 4.09Å; F17-V26 HydrophobicContact CE1-CG1 4.23Å; F17-V26 HydrophobicContact CE1-CG2 3.85Å; F17-V26 HydrophobicContact CE2-CG1 3.95Å; F17-V26 HydrophobicContact CE2-CG2 4.45Å; F17-V26 HydrophobicContact CG-CG2 4.2Å; F17-V26 HydrophobicContact CZ-CB 4.1Å; F17-V26 HydrophobicContact CZ-CG1 3.73Å; F17-V26 HydrophobicContact CZ-CG2 4.15Å; F17-K29 HydrophobicContact CE1-CB 3.48Å; F17-K29 VanDerWaalsContact CE1-CB 3.48Å; F17-K29 HydrophobicContact CE1-CG 3.64Å; F17-K29 HydrophobicContact CZ-CB 3.8Å; F17-K29 HydrophobicContact CZ-CG 3.96Å; F17-L58 HydrophobicContact CB-CD1 3.44Å; F17-L58 VanDerWaalsContact CB-CD1 3.44Å; F17-L58 HydrophobicContact CG-CD1 3.99Å
18D84Confident87.3Confident120 Ų12077 Ų7764%0.64241%0.411SS*.  trans-73.9142.4166.9-80.5-84.1000110.9N20 V21 L58D18-N20 PolarHBondContact O-N 3.01Å; D18-V21 HydrophobicContact CB-CG2 3.63Å; D18-V21 WeakPolarHBondContact O-CB 3.26Å; D18-V21 WeakPolarHBondContact O-CG2 3.48Å; D18-V21 PolarHBondContact O-N 2.96Å; D18-V21 VanDerWaalsContact O-N 3.09Å; D18-L58 WeakPolarHBondContact O-CD1 3.46Å
19E79.8Confident87.4Confident124 Ų12478.7 Ų78.758%0.57940%0.403SS*.THydrogen-bonded Turntrans-61.5-21.8-175.9-65.1175.4100.600113.3M1 A59M1-E19 HydrophobicContact CB-CG 4.39Å; E19-A59 WeakPolarHBondContact O-CB 3.41Å; E19-A59 PolarHBondContact O-N 3.31Å; E19-A59 VanDerWaalsContact O-N 3.08Å
20N81.9Confident87.6Confident138 Ų13873.7 Ų73.774%0.73837%0.369SS*.THydrogen-bonded Turntrans-91.32-178.1-60.3-65.7000113.8D18D18-N20 PolarHBondContact O-N 3.01Å
21V86.8Confident87.8Confident33 Ų3371.5 Ų71.520%0.236%0.355CS..  trans-79.5141-177.4178.80000109.9F17 D18 D25 V26 L58F17-V21 HydrophobicContact CD1-CG1 4.4Å; D18-V21 HydrophobicContact CB-CG2 3.63Å; D18-V21 WeakPolarHBondContact O-CB 3.26Å; D18-V21 WeakPolarHBondContact O-CG2 3.48Å; D18-V21 PolarHBondContact O-N 2.96Å; D18-V21 VanDerWaalsContact O-N 3.09Å; V21-D25 HydrophobicContact CG1-CB 3.25Å; V21-V26 HydrophobicContact CG1-CG2 4.12Å; V21-L58 HydrophobicContact CB-CD1 4.12Å; V21-L58 PolarHBondContact O-N 2.87Å; V21-L58 VanDerWaalsContact O-N 3.09Å
22T89.9Confident87.8Confident41 Ų4170.9 Ų70.925%0.25237%0.365SS..BIsolated β-bridgetrans-78.6157.1177.969.70000111K24 D25 V26 T57T22-K24 PolarHBondContact O-N 2.83Å; T22-K24 PolarHBondContact OG1-N 3.49Å; T22-D25 PolarHBondContact N-OD2 3.19Å; T22-D25 PolarHBondContact O-N 2.62Å; T22-D25 PolarHBondContact OG1-N 3.41Å; T22-D25 PolarHBondContact OG1-OD2 3.09Å; T22-V26 WeakPolarHBondContact O-CG2 3.47Å; T22-V26 PolarHBondContact O-N 3.13Å; T22-T57 HydrophobicContact CG2-CG2 4.32Å
23V89.6Confident87.7Confident1 Ų173.9 Ų73.91%0.00637%0.368CS..Hα-helixtrans-58.3-29173.3170.40000111V26 K27 L45 L52 K53 E56V23-V26 WeakPolarHBondContact O-CB 3.35Å; V23-V26 PolarHBondContact O-N 3.18Å; V23-K27 WeakPolarHBondContact O-CG 3.15Å; V23-K27 PolarHBondContact O-N 3.25Å; V23-L45 HydrophobicContact CG1-CD1 3.82Å; V23-L52 HydrophobicContact CG1-CB 4.02Å; V23-L52 HydrophobicContact CG2-CB 3.97Å; V23-L52 HydrophobicContact CG2-CD1 4.29Å; V23-K53 VanDerWaalsContact CB-O 3.24Å; V23-K53 WeakPolarHBondContact CB-O 3.23Å; V23-E56 HydrophobicContact CG2-CB 4.26Å; V23-E56 WeakPolarHBondContact CG2-O 3.25Å; V23-E56 PolarHBondContact N-O 2.78Å
24K87.9Confident87.2Confident125 Ų12575.9 Ų75.954%0.54338%0.377SS..Hα-helixtrans-61.2-51.6173.6-171.4-177.5174.7-176.40112.5T22 V26 K27 E28 D54T22-K24 PolarHBondContact O-N 2.83Å; T22-K24 PolarHBondContact OG1-N 3.49Å; K24-V26 VanDerWaalsContact C-N 3.26Å; K24-V26 PolarHBondContact O-N 3.09Å; K24-K27 WeakPolarHBondContact O-CB 3.19Å; K24-K27 PolarHBondContact O-N 2.77Å; K24-K27 VanDerWaalsContact O-N 3.17Å; K24-E28 PolarHBondContact O-N 2.78Å; K24-E28 VanDerWaalsContact O-N 3.09Å; K24-D54 HydrophobicContact CB-CB 4.11Å; K24-D54 PolarHBondContact N-O 2.69Å
25D89.5Confident86.6Confident80 Ų8070 Ų7043%0.42836%0.36SS..Hα-helixtrans-61.9-36.7176.8-67.3-72.9000111.4V21 T22 K27 E28 K29V21-D25 HydrophobicContact CG1-CB 3.25Å; T22-D25 PolarHBondContact N-OD2 3.19Å; T22-D25 PolarHBondContact O-N 2.62Å; T22-D25 PolarHBondContact OG1-N 3.41Å; T22-D25 PolarHBondContact OG1-OD2 3.09Å; D25-K27 VanDerWaalsContact C-N 3.33Å; D25-K27 PolarHBondContact O-N 3.05Å; D25-E28 PolarHBondContact O-N 3.39Å; D25-K29 WeakPolarHBondContact O-CB 3.48Å; D25-K29 PolarHBondContact O-N 3.17Å
26V89Confident85.9Confident1 Ų175.4 Ų75.41%0.00639%0.393CS..Hα-helixtrans-60-45.3174.7171.70000110.8F5 F17 V21 T22 V23 K24 E28 K29 I30 L45 L58F5-V26 HydrophobicContact CE1-CG1 3.89Å; F5-V26 HydrophobicContact CZ-CG1 3.73Å; F17-V26 HydrophobicContact CD1-CG2 3.87Å; F17-V26 HydrophobicContact CD2-CG2 4.49Å; F17-V26 HydrophobicContact CE1-CB 4.09Å; F17-V26 HydrophobicContact CE1-CG1 4.23Å; F17-V26 HydrophobicContact CE1-CG2 3.85Å; F17-V26 HydrophobicContact CE2-CG1 3.95Å; F17-V26 HydrophobicContact CE2-CG2 4.45Å; F17-V26 HydrophobicContact CG-CG2 4.2Å; F17-V26 HydrophobicContact CZ-CB 4.1Å; F17-V26 HydrophobicContact CZ-CG1 3.73Å; F17-V26 HydrophobicContact CZ-CG2 4.15Å; V21-V26 HydrophobicContact CG1-CG2 4.12Å; T22-V26 WeakPolarHBondContact O-CG2 3.47Å; T22-V26 PolarHBondContact O-N 3.13Å; V23-V26 WeakPolarHBondContact O-CB 3.35Å; V23-V26 PolarHBondContact O-N 3.18Å; K24-V26 VanDerWaalsContact C-N 3.26Å; K24-V26 PolarHBondContact O-N 3.09Å; V26-E28 VanDerWaalsContact C-N 3.33Å; V26-E28 PolarHBondContact O-N 2.99Å; V26-K29 PolarHBondContact O-N 3.47Å; V26-I30 HydrophobicContact CG1-CD1 3.76Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CD1 3.48Å; V26-I30 WeakPolarHBondContact O-CG1 3.13Å; V26-I30 PolarHBondContact O-N 3.42Å; V26-L45 HydrophobicContact CG1-CD1 3.92Å; V26-L58 HydrophobicContact CG2-CD1 3.7Å; V26-L58 HydrophobicContact CG2-CD2 3.87Å; V26-L58 HydrophobicContact CG2-CG 3.94Å
27K89.2Confident85.3Confident29 Ų2972.5 Ų72.513%0.12638%0.383CS..Hα-helixtrans-62.1-42177.5-69.8-179.7-176.5-1650112.2V23 K24 D25 I30 Q31 V40 Q43 L45V23-K27 WeakPolarHBondContact O-CG 3.15Å; V23-K27 PolarHBondContact O-N 3.25Å; K24-K27 WeakPolarHBondContact O-CB 3.19Å; K24-K27 PolarHBondContact O-N 2.77Å; K24-K27 VanDerWaalsContact O-N 3.17Å; D25-K27 VanDerWaalsContact C-N 3.33Å; D25-K27 PolarHBondContact O-N 3.05Å; K27-I30 PolarHBondContact O-N 3.25Å; K27-Q31 PolarHBondContact O-N 2.92Å; K27-V40 HydrophobicContact CB-CB 4.33Å; K27-V40 HydrophobicContact CB-CG1 3.92Å; K27-V40 HydrophobicContact CB-CG2 4Å; K27-V40 HydrophobicContact CD-CG1 4.17Å; K27-Q43 HydrophobicContact CD-CB 4.23Å; K27-Q43 VanDerWaalsContact CE-O 3.24Å; K27-Q43 WeakPolarHBondContact CE-O 3.46Å; K27-Q43 HydrophobicContact CG-CB 4.2Å; K27-Q43 PolarHBondContact NZ-O 2.79Å; K27-Q43 PolarHBondContact O-NE2 2.81Å; K27-Q43 PolarHBondContact O-OE1 2.9Å; K27-L45 HydrophobicContact CG-CD1 3.75Å; K27-L45 HydrophobicContact CG-CG 4.46Å
28E89.7Confident85Confident123 Ų12373.2 Ų73.258%0.57539%0.385SS*.Hα-helixtrans-64.8-42.2178.5-169.5174.7102.500111.2K24 D25 V26 I30 Q31 A32 V40K24-E28 PolarHBondContact O-N 2.78Å; K24-E28 VanDerWaalsContact O-N 3.09Å; D25-E28 PolarHBondContact O-N 3.39Å; V26-E28 VanDerWaalsContact C-N 3.33Å; V26-E28 PolarHBondContact O-N 2.99Å; E28-I30 PolarHBondContact O-N 3.33Å; E28-Q31 WeakPolarHBondContact O-CB 3.2Å; E28-Q31 PolarHBondContact O-N 3.47Å; E28-A32 PolarHBondContact O-N 3.24Å; E28-V40 HydrophobicContact CB-CG2 4.21Å
29K88.5Confident84.9Confident115 Ų11568.5 Ų68.550%0.536%0.361SS..Hα-helixtrans-65.4-38.2175.5-163.370.6172.9-1790112.6I15 F17 D25 V26 Q31 A32 E33I15-K29 HydrophobicContact CG2-CG 4.23Å; F17-K29 HydrophobicContact CE1-CB 3.48Å; F17-K29 VanDerWaalsContact CE1-CB 3.48Å; F17-K29 HydrophobicContact CE1-CG 3.64Å; F17-K29 HydrophobicContact CZ-CB 3.8Å; F17-K29 HydrophobicContact CZ-CG 3.96Å; D25-K29 WeakPolarHBondContact O-CB 3.48Å; D25-K29 PolarHBondContact O-N 3.17Å; V26-K29 PolarHBondContact O-N 3.47Å; K29-Q31 VanDerWaalsContact C-N 3.33Å; K29-A32 PolarHBondContact O-N 2.98Å; K29-E33 WeakPolarHBondContact O-CB 3.34Å; K29-E33 PolarHBondContact O-N 3.2Å
30I88Confident85.1Confident0 Ų064.5 Ų64.50%035%0.345CS..Hα-helixtrans-63.3-42.1174.2-68.4162.8000110.5F5 F13 I15 V26 K27 E28 A32 E33 K34 L45 L71F5-I30 HydrophobicContact CD1-CD1 3.82Å; F5-I30 HydrophobicContact CE1-CD1 3.65Å; F5-I30 HydrophobicContact CG-CD1 4.34Å; F5-I30 HydrophobicContact CZ-CD1 4.05Å; F13-I30 HydrophobicContact CE2-CG1 4.37Å; F13-I30 HydrophobicContact CE2-CG2 4.23Å; F13-I30 HydrophobicContact CZ-CG2 3.99Å; I15-I30 HydrophobicContact CD1-CG1 3.91Å; V26-I30 HydrophobicContact CG1-CD1 3.76Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CD1 3.48Å; V26-I30 WeakPolarHBondContact O-CG1 3.13Å; V26-I30 PolarHBondContact O-N 3.42Å; K27-I30 PolarHBondContact O-N 3.25Å; E28-I30 PolarHBondContact O-N 3.33Å; I30-A32 VanDerWaalsContact C-N 3.3Å; I30-A32 PolarHBondContact O-N 2.95Å; I30-E33 PolarHBondContact O-N 3.48Å; I30-K34 HydrophobicContact CG2-CG 4.48Å; I30-K34 WeakPolarHBondContact O-CB 3.47Å; I30-K34 PolarHBondContact O-N 3.34Å; I30-L45 HydrophobicContact CD1-CD1 4.42Å; I30-L45 HydrophobicContact CD1-CD2 3.98Å; I30-L71 HydrophobicContact CD1-CD1 3.78Å; I30-L71 HydrophobicContact CG2-CD1 3.7Å
31Q87.9Confident85.3Confident70 Ų7066.4 Ų66.433%0.32735%0.349SS..Hα-helixtrans-62.6-39174.7-176.6176.1-15.300111.4K27 E28 K29 G35 Y38 V40K27-Q31 PolarHBondContact O-N 2.92Å; E28-Q31 WeakPolarHBondContact O-CB 3.2Å; E28-Q31 PolarHBondContact O-N 3.47Å; K29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-G35 CarbonylContact O-C 3.46Å; Q31-G35 WeakPolarHBondContact O-CA 3.24Å; Q31-G35 PolarHBondContact O-N 2.88Å; Q31-Y38 VanDerWaalsContact CB-O 3.22Å; Q31-Y38 WeakPolarHBondContact CB-O 3.21Å; Q31-Y38 WeakPolarHBondContact CG-O 3.38Å; Q31-V40 HydrophobicContact CB-CG2 4.36Å; Q31-V40 VanDerWaalsContact OE1-CG2 3.23Å; Q31-V40 VanDerWaalsContact OE1-N 3.09Å
32A88.1Confident85.2Confident81 Ų8168.7 Ų68.767%0.66936%0.355SS*.Hα-helixtrans-66.1-38.9176.900000112.7E28 K29 I30E28-A32 PolarHBondContact O-N 3.24Å; K29-A32 PolarHBondContact O-N 2.98Å; I30-A32 VanDerWaalsContact C-N 3.3Å; I30-A32 PolarHBondContact O-N 2.95Å
33E85.7Confident85.2Confident129 Ų12966.8 Ų66.860%0.60334%0.343SS*.Hα-helixtrans-81.5-41.2-178.1-169.173.487.200112.9I15 K29 I30I15-E33 HydrophobicContact CD1-CB 4.01Å; I15-E33 HydrophobicContact CD1-CG 4.12Å; I15-E33 HydrophobicContact CG1-CG 4.45Å; K29-E33 WeakPolarHBondContact O-CB 3.34Å; K29-E33 PolarHBondContact O-N 3.2Å; I30-E33 PolarHBondContact O-N 3.48Å
34K82.3Confident85.1Confident60 Ų6068.1 Ų68.126%0.26135%0.351SS..Hα-helixtrans-96.4-4.6-177.6-67.5-66.8-173.3171.30114E11 F13 I30 Y38E11-K34 IonicContact OE1-NZ 2.83Å; E11-K34 PolarHBondContact OE1-NZ 2.93Å; F13-K34 HydrophobicContact CD1-CD 4.41Å; F13-K34 HydrophobicContact CD2-CG 4.45Å; F13-K34 HydrophobicContact CE1-CD 4.41Å; F13-K34 HydrophobicContact CE1-CG 4.21Å; F13-K34 HydrophobicContact CE2-CG 4.07Å; F13-K34 HydrophobicContact CZ-CG 3.92Å; I30-K34 HydrophobicContact CG2-CG 4.48Å; I30-K34 WeakPolarHBondContact O-CB 3.47Å; I30-K34 PolarHBondContact O-N 3.34Å; K34-Y38 HydrophobicContact CB-CD2 3.31Å; K34-Y38 HydrophobicContact CB-CE2 3.7Å; K34-Y38 HydrophobicContact CB-CG 4.08Å; K34-Y38 HydrophobicContact CG-CD2 4.22Å; K34-Y38 HydrophobicContact CG-CE2 4.27Å
35G76.9Confident85.3Confident31 Ų3162.3 Ų62.332%0.3233%0.326SS..  trans79.1-169.117800000114.5Q31 N37 Y38Q31-G35 CarbonylContact O-C 3.46Å; Q31-G35 WeakPolarHBondContact O-CA 3.24Å; Q31-G35 PolarHBondContact O-N 2.88Å; G35-N37 PolarHBondContact O-N 3.36Å; G35-Y38 PolarHBondContact O-N 3.47Å; G35-Y38 VanDerWaalsContact O-N 3.09Å
36V74.5Confident85.3Confident120 Ų12060.5 Ų60.573%0.72732%0.316SS*.THydrogen-bonded Turntrans-60.8-14.3-176-64.80000114.5Y38 P39V36-Y38 PolarHBondContact O-N 3.28Å; V36-P39 WeakPolarHBondContact O-CD 3.3Å
37N75.4Confident85.4Confident89 Ų8961.6 Ų61.648%0.47632%0.32SS..THydrogen-bonded Turntrans-64.2-18.3173.8-81.8-54.3000113.1G35 P39 L73 E330G35-N37 PolarHBondContact O-N 3.36Å; N37-P39 WeakPolarHBondContact O-CD 3.32Å; N37-L73 WeakPolarHBondContact O-CD1 3.38Å; N37-E330 PolarHBondContact ND2-OE1 2.9Å
38Y79.5Confident85.2Confident27 Ų2763.7 Ų63.711%0.10635%0.35CS..SBendtrans-124.171.5179.6-61.7-92.7000111.4T7 Q31 K34 G35 V36 Q43 L71 L73T7-Y38 HydrophobicContact CG2-CE1 3.93Å; T7-Y38 WeakPolarHBondContact CG2-OH 3.18Å; Q31-Y38 VanDerWaalsContact CB-O 3.22Å; Q31-Y38 WeakPolarHBondContact CB-O 3.21Å; Q31-Y38 WeakPolarHBondContact CG-O 3.38Å; K34-Y38 HydrophobicContact CB-CD2 3.31Å; K34-Y38 HydrophobicContact CB-CE2 3.7Å; K34-Y38 HydrophobicContact CB-CG 4.08Å; K34-Y38 HydrophobicContact CG-CD2 4.22Å; K34-Y38 HydrophobicContact CG-CE2 4.27Å; G35-Y38 PolarHBondContact O-N 3.47Å; G35-Y38 VanDerWaalsContact O-N 3.09Å; V36-Y38 PolarHBondContact O-N 3.28Å; Y38-Q43 PolarHBondContact O-NE2 3.4Å; Y38-L71 HydrophobicContact CD1-CD2 3.3Å; Y38-L71 HydrophobicContact CE1-CD2 3.36Å; Y38-L73 HydrophobicContact CD1-CD1 3.59Å; Y38-L73 HydrophobicContact CD1-CD2 3.8Å; Y38-L73 HydrophobicContact CD1-CG 3.85Å; Y38-L73 HydrophobicContact CE1-CD1 3.57Å; Y38-L73 HydrophobicContact CE1-CG 4.11Å; Y38-L73 HydrophobicContact CG-CD1 4.33Å; Y38-L73 HydrophobicContact CG-CD2 4.38Å
39P83.7Confident85Confident22 Ų2261.3 Ų61.314%0.14336%0.358CS..  trans-67.5136.6176.427.1-31.9000110.7V36 N37 E41 W42 Q43V36-P39 WeakPolarHBondContact O-CD 3.3Å; N37-P39 WeakPolarHBondContact O-CD 3.32Å; P39-E41 PolarHBondContact O-N 3.47Å; P39-W42 HydrophobicContact CG-CB 3.93Å; P39-W42 HydrophobicContact CG-CD2 3.36Å; P39-W42 HydrophobicContact CG-CE3 3.35Å; P39-W42 HydrophobicContact CG-CG 3.62Å; P39-W42 HydrophobicContact CG-CZ3 4.03Å; P39-W42 PolarHBondContact O-N 3.17Å; P39-Q43 WeakPolarHBondContact O-CG 3.47Å; P39-Q43 PolarHBondContact O-N 3.09Å
40V83.6Confident84.9Confident40 Ų4063.4 Ų63.424%0.24237%0.367CS..THydrogen-bonded Turntrans-47.2-37.2-179.4169.10000112.7K27 E28 Q31 W42 Q43K27-V40 HydrophobicContact CB-CB 4.33Å; K27-V40 HydrophobicContact CB-CG1 3.92Å; K27-V40 HydrophobicContact CB-CG2 4Å; K27-V40 HydrophobicContact CD-CG1 4.17Å; E28-V40 HydrophobicContact CB-CG2 4.21Å; Q31-V40 HydrophobicContact CB-CG2 4.36Å; Q31-V40 VanDerWaalsContact OE1-CG2 3.23Å; Q31-V40 VanDerWaalsContact OE1-N 3.09Å; V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 PolarHBondContact O-N 3.25Å; V40-Q43 PolarHBondContact O-N 3Å
41E84.6Confident85.1Confident177 Ų17768.8 Ų68.883%0.82740%0.395SS*.THydrogen-bonded Turntrans-66.3-31.1-179.3-63.9-172.990.600113.7P39P39-E41 PolarHBondContact O-N 3.47Å
42W86.4Confident85.1Confident82 Ų8265.9 Ų65.931%0.31138%0.382SS..THydrogen-bonded Turntrans-96.2-15.2-176.9-54.8-4.6000111.1P39 V40 T44 M72 L73 L74 K75P39-W42 HydrophobicContact CG-CB 3.93Å; P39-W42 HydrophobicContact CG-CD2 3.36Å; P39-W42 HydrophobicContact CG-CE3 3.35Å; P39-W42 HydrophobicContact CG-CG 3.62Å; P39-W42 HydrophobicContact CG-CZ3 4.03Å; P39-W42 PolarHBondContact O-N 3.17Å; V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 PolarHBondContact O-N 3.25Å; W42-T44 PolarHBondContact O-N 3.39Å; W42-M72 VanDerWaalsContact O-O 3.08Å; W42-L73 HydrophobicContact CB-CD2 4.03Å; W42-L73 CarbonylContact O-C 3.34Å; W42-L73 VanDerWaalsContact O-CA 3.26Å; W42-L73 WeakPolarHBondContact O-CA 3.2Å; W42-L74 WeakPolarHBondContact CA-O 3.38Å; W42-L74 WeakPolarHBondContact CB-O 3.39Å; W42-L74 PolarHBondContact O-N 3Å; W42-K75 HydrophobicContact CD2-CG 4.19Å; W42-K75 HydrophobicContact CE3-CG 3.74Å; W42-K75 HydrophobicContact CH2-CG 4.4Å; W42-K75 HydrophobicContact CZ3-CD 4.26Å; W42-K75 HydrophobicContact CZ3-CG 3.88Å
43Q88.5Confident85.1Confident1 Ų168.5 Ų68.51%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-71.4118.7178.8-68.4179.723.400111.7K27 Y38 P39 V40 L71 L73K27-Q43 HydrophobicContact CD-CB 4.23Å; K27-Q43 VanDerWaalsContact CE-O 3.24Å; K27-Q43 WeakPolarHBondContact CE-O 3.46Å; K27-Q43 HydrophobicContact CG-CB 4.2Å; K27-Q43 PolarHBondContact NZ-O 2.79Å; K27-Q43 PolarHBondContact O-NE2 2.81Å; K27-Q43 PolarHBondContact O-OE1 2.9Å; Y38-Q43 PolarHBondContact O-NE2 3.4Å; P39-Q43 WeakPolarHBondContact O-CG 3.47Å; P39-Q43 PolarHBondContact O-N 3.09Å; V40-Q43 PolarHBondContact O-N 3Å; Q43-L71 HydrophobicContact CG-CD1 4.14Å; Q43-L73 HydrophobicContact CG-CD2 4.19Å
44T89.1Confident85.1Confident29 Ų2966.4 Ų66.418%0.17837%0.371CS..EExtended strand (participates in β ladder)trans-113.3113.8168.6-580000108.4W42 I46 I51 M72W42-T44 PolarHBondContact O-N 3.39Å; T44-I46 HydrophobicContact CG2-CD1 4.41Å; T44-I46 HydrophobicContact CG2-CG1 4.15Å; T44-I51 HydrophobicContact CG2-CG1 4.23Å; T44-I51 HydrophobicContact CG2-CG2 3.57Å; T44-M72 PolarHBondContact N-O 2.86Å; T44-M72 PolarHBondContact O-N 3.43Å
45L90.2Very high85.4Confident2 Ų271.3 Ų71.31%0.0140%0.395CS..EExtended strand (participates in β ladder)trans-93.4127.1178.9-69.7168.5000108.9F5 V23 V26 K27 I30 I51 L52 V69 A70 L71F5-L45 HydrophobicContact CD1-CD2 3.75Å; F5-L45 HydrophobicContact CE1-CD2 3.81Å; V23-L45 HydrophobicContact CG1-CD1 3.82Å; V26-L45 HydrophobicContact CG1-CD1 3.92Å; K27-L45 HydrophobicContact CG-CD1 3.75Å; K27-L45 HydrophobicContact CG-CG 4.46Å; I30-L45 HydrophobicContact CD1-CD1 4.42Å; I30-L45 HydrophobicContact CD1-CD2 3.98Å; L45-I51 CarbonylContact O-C 3.53Å; L45-I51 WeakPolarHBondContact O-CA 3.45Å; L45-L52 HydrophobicContact CB-CB 4.15Å; L45-L52 HydrophobicContact CB-CD1 4.11Å; L45-L52 HydrophobicContact CB-CG 4.34Å; L45-L52 PolarHBondContact O-N 3.34Å; L45-V69 HydrophobicContact CB-CG1 3.94Å; L45-V69 HydrophobicContact CD2-CG1 3.81Å; L45-V69 HydrophobicContact CG-CG1 4.46Å; L45-A70 CarbonylContact C-O 3.55Å; L45-L71 HydrophobicContact CD2-CB 4.03Å; L45-L71 HydrophobicContact CD2-CD1 3.82Å; L45-L71 HydrophobicContact CD2-CG 4.21Å
46I90.6Very high85.8Confident43 Ų4372.1 Ų72.122%0.22139%0.39CS..EExtended strand (participates in β ladder)trans-125.5119.6-175-57.7151.7000108.4T44 K50 I51 V69 A70 M72T44-I46 HydrophobicContact CG2-CD1 4.41Å; T44-I46 HydrophobicContact CG2-CG1 4.15Å; I46-K50 CarbonylContact C-O 3.48Å; I46-K50 WeakPolarHBondContact CA-O 3.13Å; I46-I51 HydrophobicContact CG1-CG1 3.97Å; I46-V69 CarbonylContact O-C 3.51Å; I46-A70 HydrophobicContact CB-CB 4.18Å; I46-A70 PolarHBondContact N-O 3.16Å; I46-A70 PolarHBondContact O-N 3.09Å; I46-M72 HydrophobicContact CD1-CB 4.21Å; I46-M72 HydrophobicContact CD1-SD 4.48Å
47Y90.3Very high86.4Confident23 Ų2368.5 Ų68.59%0.0937%0.368CS..EExtended strand (participates in β ladder)trans-128.4127.3177.6-179.3-106.8000110.8G49 K50 V61 K62 L63 D64 K67 V69Y47-G49 PolarHBondContact O-N 3.46Å; Y47-G49 VanDerWaalsContact O-N 3.13Å; Y47-K50 PolarHBondContact N-O 3.11Å; Y47-K50 PolarHBondContact O-N 2.83Å; Y47-V61 HydrophobicContact CD1-CG1 3.52Å; Y47-V61 HydrophobicContact CE1-CG1 4.2Å; Y47-V61 HydrophobicContact CG-CG1 4.09Å; Y47-K62 WeakPolarHBondContact CE1-O 3.43Å; Y47-K62 PolarHBondContact OH-O 3.26Å; Y47-K62 VanDerWaalsContact OH-O 3.13Å; Y47-L63 HydrophobicContact CD1-CD2 3.68Å; Y47-L63 HydrophobicContact CD2-CD2 3.43Å; Y47-L63 VanDerWaalsContact CD2-CD2 3.43Å; Y47-L63 HydrophobicContact CE1-CD2 3.85Å; Y47-L63 HydrophobicContact CE2-CD2 3.62Å; Y47-L63 HydrophobicContact CG-CD2 3.44Å; Y47-L63 VanDerWaalsContact CG-CD2 3.44Å; Y47-D64 WeakPolarHBondContact OH-CB 3.34Å; Y47-D64 PolarHBondContact OH-N 3.08Å; Y47-K67 HydrophobicContact CE2-CB 3.67Å; Y47-K67 HydrophobicContact CE2-CD 4.24Å; Y47-V69 HydrophobicContact CD2-CG2 3.87Å; Y47-V69 HydrophobicContact CG-CG2 4.38Å
48G85.2Confident86.8Confident74 Ų7464.7 Ų64.776%0.76335%0.348SS*.THydrogen-bonded Turntrans57.129-179.800000114.1K50G48-K50 VanDerWaalsContact C-N 3.33Å
49G85.1Confident86.8Confident72 Ų7266 Ų6674%0.74237%0.365SS*.THydrogen-bonded Turntrans82.9-1.4-176.200000115.3Y47Y47-G49 PolarHBondContact O-N 3.46Å; Y47-G49 VanDerWaalsContact O-N 3.13Å
50K88.1Confident86.9Confident160 Ų16071 Ų7170%0.69639%0.386SS*.EExtended strand (participates in β ladder)trans-99.5131.5174.1-66.8-176.9-179.1178.40110.7I46 Y47 G48 L52I46-K50 CarbonylContact C-O 3.48Å; I46-K50 WeakPolarHBondContact CA-O 3.13Å; Y47-K50 PolarHBondContact N-O 3.11Å; Y47-K50 PolarHBondContact O-N 2.83Å; G48-K50 VanDerWaalsContact C-N 3.33Å; K50-L52 PolarHBondContact O-N 2.78Å
51I90.4Very high86.7Confident112 Ų11270.1 Ų70.157%0.57438%0.38SS*.EExtended strand (participates in β ladder)trans-75.2121.3169.2-63.1163.4000107.7T44 L45 I46T44-I51 HydrophobicContact CG2-CG1 4.23Å; T44-I51 HydrophobicContact CG2-CG2 3.57Å; L45-I51 CarbonylContact O-C 3.53Å; L45-I51 WeakPolarHBondContact O-CA 3.45Å; I46-I51 HydrophobicContact CG1-CG1 3.97Å
52L88.5Confident86.5Confident10 Ų1069.9 Ų69.95%0.05238%0.377CS..PPolyproline II helixtrans-77.2126.5179.7-54.8-175.6000109.7V23 L45 K50 V61 V69V23-L52 HydrophobicContact CG1-CB 4.02Å; V23-L52 HydrophobicContact CG2-CB 3.97Å; V23-L52 HydrophobicContact CG2-CD1 4.29Å; L45-L52 HydrophobicContact CB-CB 4.15Å; L45-L52 HydrophobicContact CB-CD1 4.11Å; L45-L52 HydrophobicContact CB-CG 4.34Å; L45-L52 PolarHBondContact O-N 3.34Å; K50-L52 PolarHBondContact O-N 2.78Å; L52-V61 HydrophobicContact CD1-CG1 3.96Å; L52-V61 HydrophobicContact CD1-CG2 4.22Å; L52-V61 HydrophobicContact CD2-CB 4.25Å; L52-V61 HydrophobicContact CD2-CG1 3.51Å; L52-V61 HydrophobicContact CD2-CG2 3.63Å; L52-V61 HydrophobicContact CG-CG1 4.39Å; L52-V61 HydrophobicContact CG-CG2 4.46Å; L52-V69 HydrophobicContact CD1-CG1 4.26Å
53K87.6Confident86.2Confident136 Ų13666.9 Ų66.959%0.59137%0.367SS*.PPolyproline II helixtrans-86.2153.2173.6-65.4-177.8179.9178.40110.5V23 E55 E56V23-K53 VanDerWaalsContact CB-O 3.24Å; V23-K53 WeakPolarHBondContact CB-O 3.23Å; K53-E55 PolarHBondContact O-N 3.39Å; K53-E56 PolarHBondContact N-OE2 2.76Å; K53-E56 PolarHBondContact O-N 3.49Å; K53-E56 VanDerWaalsContact O-N 3.11Å
54D87.4Confident85.9Confident85 Ų8570 Ų7046%0.45538%0.383SS..THydrogen-bonded Turntrans-57.1-29.2-179.648.9-79.6000113.9K24K24-D54 HydrophobicContact CB-CB 4.11Å; K24-D54 PolarHBondContact N-O 2.69Å
55E88.3Confident85.5Confident162 Ų16274.4 Ų74.476%0.75740%0.402SS*.THydrogen-bonded Turntrans-76.2-15.6178.9-57.9179.49800114.4K53K53-E55 PolarHBondContact O-N 3.39Å
56E85.8Confident85.1Confident49 Ų4983.6 Ų83.623%0.22944%0.442CS..  trans-80.2142.5-179.4-62.9-169.384.600111.2V23 K53 Q60 V61V23-E56 HydrophobicContact CG2-CB 4.26Å; V23-E56 WeakPolarHBondContact CG2-O 3.25Å; V23-E56 PolarHBondContact N-O 2.78Å; K53-E56 PolarHBondContact N-OE2 2.76Å; K53-E56 PolarHBondContact O-N 3.49Å; K53-E56 VanDerWaalsContact O-N 3.11Å; E56-Q60 PolarHBondContact OE1-NE2 2.87Å; E56-Q60 VanDerWaalsContact OE1-NE2 3.09Å; E56-V61 HydrophobicContact CB-CG2 4.18Å
57T86.7Confident85Confident44 Ų4486.7 Ų86.727%0.2745%0.453SS..BIsolated β-bridgetrans-92152.6172.257.90000110.8T22 A59 Q60 V61T22-T57 HydrophobicContact CG2-CG2 4.32Å; T57-A59 PolarHBondContact O-N 3.18Å; T57-Q60 WeakPolarHBondContact O-CB 3.41Å; T57-Q60 PolarHBondContact O-N 2.9Å; T57-Q60 PolarHBondContact OG1-N 2.85Å; T57-V61 WeakPolarHBondContact O-CG2 3.37Å; T57-V61 PolarHBondContact O-N 2.78Å
58L83Confident84.9Confident9 Ų990.8 Ų90.85%0.04747%0.472CS..Hα-helixtrans-55.5-35.4176.3-67.5166.9000112.2F17 D18 V21 V26 Q60 V61 K62 L63F17-L58 HydrophobicContact CB-CD1 3.44Å; F17-L58 VanDerWaalsContact CB-CD1 3.44Å; F17-L58 HydrophobicContact CG-CD1 3.99Å; D18-L58 WeakPolarHBondContact O-CD1 3.46Å; V21-L58 HydrophobicContact CB-CD1 4.12Å; V21-L58 PolarHBondContact O-N 2.87Å; V21-L58 VanDerWaalsContact O-N 3.09Å; V26-L58 HydrophobicContact CG2-CD1 3.7Å; V26-L58 HydrophobicContact CG2-CD2 3.87Å; V26-L58 HydrophobicContact CG2-CG 3.94Å; L58-Q60 PolarHBondContact O-N 2.95Å; L58-V61 PolarHBondContact O-N 3.13Å; L58-K62 PolarHBondContact O-N 2.8Å; L58-L63 HydrophobicContact CB-CD1 4.39Å; L58-L63 HydrophobicContact CD2-CD1 3.22Å; L58-L63 HydrophobicContact CD2-CG 4.39Å; L58-L63 HydrophobicContact CG-CD1 4.37Å
59A80.8Confident85.2Confident55 Ų5587.4 Ų87.446%0.45544%0.436SS..Hα-helixtrans-59.6-40.6172.600000113.4E19 T57 K62E19-A59 WeakPolarHBondContact O-CB 3.41Å; E19-A59 PolarHBondContact O-N 3.31Å; E19-A59 VanDerWaalsContact O-N 3.08Å; T57-A59 PolarHBondContact O-N 3.18Å; A59-K62 PolarHBondContact O-N 3.26Å
60Q85Confident85.4Confident127 Ų12785.5 Ų85.559%0.59341%0.414SS*.Hα-helixtrans-70.6-35.3179.6-171.4173.5-70.800112.2E56 T57 L58 K62E56-Q60 PolarHBondContact OE1-NE2 2.87Å; E56-Q60 VanDerWaalsContact OE1-NE2 3.09Å; T57-Q60 WeakPolarHBondContact O-CB 3.41Å; T57-Q60 PolarHBondContact O-N 2.9Å; T57-Q60 PolarHBondContact OG1-N 2.85Å; L58-Q60 PolarHBondContact O-N 2.95Å; Q60-K62 PolarHBondContact O-N 3.43Å
61V79.1Confident85.5Confident20 Ų2078 Ų7812%0.12138%0.381CS..Hα-helixtrans-68.8-17.9-178.3178.70000112.3Y47 L52 E56 T57 L58 L63Y47-V61 HydrophobicContact CD1-CG1 3.52Å; Y47-V61 HydrophobicContact CE1-CG1 4.2Å; Y47-V61 HydrophobicContact CG-CG1 4.09Å; L52-V61 HydrophobicContact CD1-CG1 3.96Å; L52-V61 HydrophobicContact CD1-CG2 4.22Å; L52-V61 HydrophobicContact CD2-CB 4.25Å; L52-V61 HydrophobicContact CD2-CG1 3.51Å; L52-V61 HydrophobicContact CD2-CG2 3.63Å; L52-V61 HydrophobicContact CG-CG1 4.39Å; L52-V61 HydrophobicContact CG-CG2 4.46Å; E56-V61 HydrophobicContact CB-CG2 4.18Å; T57-V61 WeakPolarHBondContact O-CG2 3.37Å; T57-V61 PolarHBondContact O-N 2.78Å; L58-V61 PolarHBondContact O-N 3.13Å; V61-L63 VanDerWaalsContact C-N 3.29Å; V61-L63 HydrophobicContact CB-CD2 4.46Å; V61-L63 HydrophobicContact CB-CG 4.24Å; V61-L63 HydrophobicContact CG1-CD2 3.58Å; V61-L63 HydrophobicContact CG1-CG 3.89Å; V61-L63 PolarHBondContact O-N 3.45Å
62K81Confident85.4Confident173 Ų17377.2 Ų77.275%0.75238%0.377SS*.THydrogen-bonded Turntrans49.653.8-174.2-66.1179.4175.7171.10110.7Y47 L58 A59 Q60Y47-K62 WeakPolarHBondContact CE1-O 3.43Å; Y47-K62 PolarHBondContact OH-O 3.26Å; Y47-K62 VanDerWaalsContact OH-O 3.13Å; L58-K62 PolarHBondContact O-N 2.8Å; A59-K62 PolarHBondContact O-N 3.26Å; Q60-K62 PolarHBondContact O-N 3.43Å
63L80.5Confident85.3Confident19 Ų1979.7 Ų79.710%0.09939%0.389CS..  trans-57.4146.4170.3-67.1-179.4000109.7M1 V3 Y47 L58 V61 V69M1-L63 HydrophobicContact CE-CB 4.28Å; M1-L63 WeakPolarHBondContact CE-O 3.18Å; M1-L63 HydrophobicContact SD-CB 4.37Å; V3-L63 HydrophobicContact CB-CD1 4.48Å; V3-L63 HydrophobicContact CG1-CD1 3.85Å; V3-L63 HydrophobicContact CG2-CD1 3.74Å; Y47-L63 HydrophobicContact CD1-CD2 3.68Å; Y47-L63 HydrophobicContact CD2-CD2 3.43Å; Y47-L63 VanDerWaalsContact CD2-CD2 3.43Å; Y47-L63 HydrophobicContact CE1-CD2 3.85Å; Y47-L63 HydrophobicContact CE2-CD2 3.62Å; Y47-L63 HydrophobicContact CG-CD2 3.44Å; Y47-L63 VanDerWaalsContact CG-CD2 3.44Å; L58-L63 HydrophobicContact CB-CD1 4.39Å; L58-L63 HydrophobicContact CD2-CD1 3.22Å; L58-L63 HydrophobicContact CD2-CG 4.39Å; L58-L63 HydrophobicContact CG-CD1 4.37Å; V61-L63 VanDerWaalsContact C-N 3.29Å; V61-L63 HydrophobicContact CB-CD2 4.46Å; V61-L63 HydrophobicContact CB-CG 4.24Å; V61-L63 HydrophobicContact CG1-CD2 3.58Å; V61-L63 HydrophobicContact CG1-CG 3.89Å; V61-L63 PolarHBondContact O-N 3.45Å; L63-V69 HydrophobicContact CD1-CG2 4.35Å; L63-V69 HydrophobicContact CD2-CG2 3.49Å; L63-V69 VanDerWaalsContact CD2-CG2 3.49Å
64D81.3Confident84.9Confident66 Ų6677.7 Ų77.735%0.35339%0.385SS..  trans-125.3123.6-176.9-169.7-36.4000105.2Y47 K66 K67Y47-D64 WeakPolarHBondContact OH-CB 3.34Å; Y47-D64 PolarHBondContact OH-N 3.08Å; D64-K66 PolarHBondContact O-N 3.4Å; D64-K66 PolarHBondContact OD1-N 3Å; D64-K67 HydrophobicContact CB-CB 4.24Å; D64-K67 HydrophobicContact CB-CD 4.38Å; D64-K67 HydrophobicContact CB-CG 4.05Å; D64-K67 PolarHBondContact O-N 3.45Å; D64-K67 IonicContact OD2-NZ 3.47Å; D64-K67 PolarHBondContact OD2-NZ 3.47Å
65E80.1Confident84.4Confident121 Ų12181.1 Ų81.157%0.56540%0.395SS*.THydrogen-bonded Turntrans-60.7-18.7-173.5-62.5-176.6104.300112.7M1M1-E65 HydrophobicContact CE-CG 3.67Å; M1-E65 HydrophobicContact CG-CG 4.11Å
66K83Confident82.9Confident196 Ų19677.1 Ų77.185%0.85238%0.383SS*.THydrogen-bonded Turntrans-83.7-17175.6-64178-178.7173.50113.5D64D64-K66 PolarHBondContact O-N 3.4Å; D64-K66 PolarHBondContact OD1-N 3Å
67K87.5Confident80.9Confident107 Ų10784.2 Ų84.247%0.46541%0.414SS..SBendtrans-99.4163178.2-63.1-164.1-166.781.40109.7Y47 D64Y47-K67 HydrophobicContact CE2-CB 3.67Å; Y47-K67 HydrophobicContact CE2-CD 4.24Å; D64-K67 HydrophobicContact CB-CB 4.24Å; D64-K67 HydrophobicContact CB-CD 4.38Å; D64-K67 HydrophobicContact CB-CG 4.05Å; D64-K67 PolarHBondContact O-N 3.45Å; D64-K67 IonicContact OD2-NZ 3.47Å; D64-K67 PolarHBondContact OD2-NZ 3.47Å
68F89.1Confident78.7Confident109 Ų10990 Ų9048%0.47844%0.442SS..EExtended strand (participates in β ladder)trans-114151.8175.559.2-91.5000110.5T4 K6T4-F68 HydrophobicContact CG2-CB 4.07Å; T4-F68 CarbonylContact O-C 3.51Å; T4-F68 WeakPolarHBondContact O-CA 3.49Å; T4-F68 WeakPolarHBondContact O-CB 3.34Å; K6-F68 HydrophobicContact CB-CB 4.34Å; K6-F68 HydrophobicContact CB-CD2 3.67Å; K6-F68 HydrophobicContact CB-CE2 4.29Å; K6-F68 HydrophobicContact CB-CG 4.17Å; K6-F68 HydrophobicContact CD-CD2 4.17Å; K6-F68 HydrophobicContact CD-CE2 4.1Å; K6-F68 HydrophobicContact CD-CZ 4.43Å
69V90.1Very high76.6Confident3 Ų393.2 Ų93.22%0.01847%0.47CS..EExtended strand (participates in β ladder)trans-94.4118.7168.2-176.20000107.2V3 T4 F5 K6 L45 I46 Y47 L52 L63 L71V3-V69 HydrophobicContact CG1-CG2 3.75Å; T4-V69 PolarHBondContact O-N 2.84Å; F5-V69 CarbonylContact C-O 3.58Å; F5-V69 VanDerWaalsContact CA-O 3.26Å; F5-V69 WeakPolarHBondContact CA-O 3.37Å; F5-V69 HydrophobicContact CD1-CB 3.87Å; F5-V69 HydrophobicContact CD1-CG1 4.21Å; F5-V69 HydrophobicContact CE1-CB 4.07Å; F5-V69 HydrophobicContact CE1-CG1 4.27Å; F5-V69 HydrophobicContact CE1-CG2 4.42Å; K6-V69 PolarHBondContact N-O 3.15Å; L45-V69 HydrophobicContact CB-CG1 3.94Å; L45-V69 HydrophobicContact CD2-CG1 3.81Å; L45-V69 HydrophobicContact CG-CG1 4.46Å; I46-V69 CarbonylContact O-C 3.51Å; Y47-V69 HydrophobicContact CD2-CG2 3.87Å; Y47-V69 HydrophobicContact CG-CG2 4.38Å; L52-V69 HydrophobicContact CD1-CG1 4.26Å; L63-V69 HydrophobicContact CD1-CG2 4.35Å; L63-V69 HydrophobicContact CD2-CG2 3.49Å; L63-V69 VanDerWaalsContact CD2-CG2 3.49Å; V69-L71 PolarHBondContact O-N 3.26Å
70A89.9Confident74.4Confident32 Ų32100.2 Ų100.226%0.26449%0.49SS..EExtended strand (participates in β ladder)trans-74120.9174.700000109.3K6 L45 I46K6-A70 CarbonylContact O-C 3.55Å; K6-A70 VanDerWaalsContact O-CA 3.3Å; K6-A70 WeakPolarHBondContact O-CA 3.22Å; L45-A70 CarbonylContact C-O 3.55Å; I46-A70 HydrophobicContact CB-CB 4.18Å; I46-A70 PolarHBondContact N-O 3.16Å; I46-A70 PolarHBondContact O-N 3.09Å
71L90.1Very high72.2Confident3 Ų3101.8 Ų101.82%0.01650%0.498CS..EExtended strand (participates in β ladder)trans-100.5120.6175178.9144.3000108.9K6 T7 A8 I30 Y38 Q43 L45 V69 L73K6-L71 PolarHBondContact O-N 3.26Å; T7-L71 WeakPolarHBondContact CA-O 3.24Å; T7-L71 HydrophobicContact CG2-CD2 4.41Å; A8-L71 PolarHBondContact N-O 3.46Å; I30-L71 HydrophobicContact CD1-CD1 3.78Å; I30-L71 HydrophobicContact CG2-CD1 3.7Å; Y38-L71 HydrophobicContact CD1-CD2 3.3Å; Y38-L71 HydrophobicContact CE1-CD2 3.36Å; Q43-L71 HydrophobicContact CG-CD1 4.14Å; L45-L71 HydrophobicContact CD2-CB 4.03Å; L45-L71 HydrophobicContact CD2-CD1 3.82Å; L45-L71 HydrophobicContact CD2-CG 4.21Å; V69-L71 PolarHBondContact O-N 3.26Å; L71-L73 HydrophobicContact CD2-CG 4.41Å
72M88Confident70.1Confident96 Ų96109.4 Ų109.447%0.47353%0.532SS..EExtended strand (participates in β ladder)trans-118.5136179.6-157.7172.7-172.900109.7W42 T44 I46 L74W42-M72 VanDerWaalsContact O-O 3.08Å; T44-M72 PolarHBondContact N-O 2.86Å; T44-M72 PolarHBondContact O-N 3.43Å; I46-M72 HydrophobicContact CD1-CB 4.21Å; I46-M72 HydrophobicContact CD1-SD 4.48Å; M72-L74 HydrophobicContact CB-CD1 4.03Å; M72-L74 HydrophobicContact CG-CD1 3.79Å; M72-L74 HydrophobicContact SD-CD1 3.98Å
73L87.4Confident68.4Low61 Ų61106 Ų10632%0.31953%0.525SS..EExtended strand (participates in β ladder)trans-97.5100.7176.4-71.5165000109.6N37 Y38 W42 Q43 L71 K75N37-L73 WeakPolarHBondContact O-CD1 3.38Å; Y38-L73 HydrophobicContact CD1-CD1 3.59Å; Y38-L73 HydrophobicContact CD1-CD2 3.8Å; Y38-L73 HydrophobicContact CD1-CG 3.85Å; Y38-L73 HydrophobicContact CE1-CD1 3.57Å; Y38-L73 HydrophobicContact CE1-CG 4.11Å; Y38-L73 HydrophobicContact CG-CD1 4.33Å; Y38-L73 HydrophobicContact CG-CD2 4.38Å; W42-L73 HydrophobicContact CB-CD2 4.03Å; W42-L73 CarbonylContact O-C 3.34Å; W42-L73 VanDerWaalsContact O-CA 3.26Å; W42-L73 WeakPolarHBondContact O-CA 3.2Å; Q43-L73 HydrophobicContact CG-CD2 4.19Å; L71-L73 HydrophobicContact CD2-CG 4.41Å; L73-K75 PolarHBondContact O-N 2.82Å
74L79.5Confident66.2Low95 Ų95111.3 Ų111.350%0.49756%0.559SS.*  trans-91.896.7171.7-82.977.6000107.9W42 M72 P76W42-L74 WeakPolarHBondContact CA-O 3.38Å; W42-L74 WeakPolarHBondContact CB-O 3.39Å; W42-L74 PolarHBondContact O-N 3Å; M72-L74 HydrophobicContact CB-CD1 4.03Å; M72-L74 HydrophobicContact CG-CD1 3.79Å; M72-L74 HydrophobicContact SD-CD1 3.98Å; L74-P76 VanDerWaalsContact O-CD 3.32Å; L74-P76 WeakPolarHBondContact O-CD 3.4Å
75K75.3Confident64.5Low156 Ų156117.1 Ų117.168%0.67858%0.581SS**  trans-60.4119167.8-62.7-177.5-179.3179.80107.2W42 L73 K77W42-K75 HydrophobicContact CD2-CG 4.19Å; W42-K75 HydrophobicContact CE3-CG 3.74Å; W42-K75 HydrophobicContact CH2-CG 4.4Å; W42-K75 HydrophobicContact CZ3-CD 4.26Å; W42-K75 HydrophobicContact CZ3-CG 3.88Å; L73-K75 PolarHBondContact O-N 2.82Å; K75-K77 PolarHBondContact O-N 3.09Å
76P58.4Low62.7Low78 Ų78120.7 Ų120.751%0.50660%0.595SS.*  trans-57.9113.6167.525.1-29.6000105L74 L78L74-P76 VanDerWaalsContact O-CD 3.32Å; L74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-L78 PolarHBondContact O-N 3.22Å
77K42.4Very low61Low199 Ų199120 Ų12087%0.86559%0.594SS**  trans-51.3116.9163.2-160.6168-171.7162.30103.6K75 A79K75-K77 PolarHBondContact O-N 3.09Å; K77-A79 PolarHBondContact O-N 3.02Å
78L41.9Very low59.2Low165 Ų165120.9 Ų120.986%0.86461%0.608SS**  trans-5192.7173.6-101.388.2000106.6P76 K80P76-L78 PolarHBondContact O-N 3.22Å; L78-K80 PolarHBondContact O-N 2.72Å; L78-K80 VanDerWaalsContact O-N 3.15Å
79A38.6Very low57.1Low77 Ų77125 Ų12564%0.63663%0.629SS**  trans-58.2115.8148.200000101.9K77 Q81K77-A79 PolarHBondContact O-N 3.02Å; A79-Q81 PolarHBondContact O-N 3.31Å
80K33.7Very low55.1Low201 Ų201128.7 Ų128.787%0.87466%0.66SS**  trans-52.879.7170.3-166.7166.7-174.7171.40107.1L78 E82L78-K80 PolarHBondContact O-N 2.72Å; L78-K80 VanDerWaalsContact O-N 3.15Å; K80-E82 PolarHBondContact O-N 2.77Å; K80-E82 VanDerWaalsContact O-N 3.15Å
81Q38.6Very low52.9Low161 Ų161135.4 Ų135.475%0.75269%0.686SS**  trans-74.7102.5168.3-83.2-167.9-10.600104.1A79 V83A79-Q81 PolarHBondContact O-N 3.31Å; Q81-V83 VanDerWaalsContact C-N 3.25Å; Q81-V83 HydrophobicContact CB-CG2 4.28Å; Q81-V83 PolarHBondContact O-N 3.02Å
82E36.5Very low50.9Low179 Ų179143.2 Ų143.284%0.83672%0.722SS**  trans-34.699.1142.4-82.2166.367.500109K80K80-E82 PolarHBondContact O-N 2.77Å; K80-E82 VanDerWaalsContact O-N 3.15Å
83V44Very low48.9Very low102 Ų102146.1 Ų146.162%0.61874%0.735SS**  trans-106.279.3160.4-176.80000105.9Q81 K85Q81-V83 VanDerWaalsContact C-N 3.25Å; Q81-V83 HydrophobicContact CB-CG2 4.28Å; Q81-V83 PolarHBondContact O-N 3.02Å; V83-K85 HydrophobicContact CG1-CB 3.72Å; V83-K85 HydrophobicContact CG1-CD 4.17Å; V83-K85 HydrophobicContact CG1-CG 3.98Å; V83-K85 PolarHBondContact O-N 2.87Å
84T34.7Very low46.8Very low130 Ų130150.1 Ų150.180%0.79876%0.757SS**  trans-62.288.3145.1-51.50000106.4
85K46.9Very low45.3Very low188 Ų188149.5 Ų149.582%0.81777%0.765SS**  trans-117.2101.6159.6-102.7-178.9173-179.80108.4V83V83-K85 HydrophobicContact CG1-CB 3.72Å; V83-K85 HydrophobicContact CG1-CD 4.17Å; V83-K85 HydrophobicContact CG1-CG 3.98Å; V83-K85 PolarHBondContact O-N 2.87Å
86K41.4Very low43.9Very low197 Ų197150.5 Ų150.586%0.85777%0.77SS**  trans-11696.9158.2-163.3179.5-170.6-177.60105.6
87E48.1Very low43.6Very low181 Ų181153.3 Ų153.385%0.84678%0.779SS**  trans-16191.1160.6-158.4150.97800106.1
88V48.6Very low43.6Very low126 Ų126150.3 Ų150.376%0.76477%0.772SS**  81.9100.983.4176.20000112.2
89E46Very low44.1Very low194 Ų194146.6 Ų146.691%0.90776%0.76SS**  trans-174.3128141.6-115.3176.978.200105
90A46.3Very low44.2Very low82 Ų82149.2 Ų149.268%0.67877%0.768SS**  cis-162.4171-5.800000106.8
91Q45.1Very low44.7Very low172 Ų172145.2 Ų145.280%0.80476%0.756SS**  trans102110.6162.2-58.5-179.2-55.400117.8
92E47.1Very low44.9Very low167 Ų167145.9 Ų145.978%0.7876%0.76SS**  trans67.5131.5146.1-67.9166.5122.400116.4
93E46.1Very low45Very low158 Ų158140.6 Ų140.674%0.73875%0.753SS**  cis-168.8155.85.8-164.3167.9108.300104.8
94D44.1Very low44.9Very low145 Ų145140.5 Ų140.578%0.77576%0.763SS**  trans72.5108.3159.6-103.8-111.3000122.9
95A46.9Very low45.1Very low82 Ų82139.6 Ų139.668%0.67876%0.762SS**  87.7103.2123.700000121.1
96K45.9Very low45.1Very low177 Ų177136.3 Ų136.377%0.7776%0.762SS**  94.2110.7120.3-116.1-170.2174.5178.10119.3
97I52.2Low45.3Very low136 Ų136135 Ų13570%0.69776%0.76SS**  trans53.6136.4131.265.9-175.3000118.3
98D42.8Very low45.2Very low137 Ų137132 Ų13273%0.73376%0.756SS**  cis-173.2150.231.5-162-116000109.6
99S53.2Low44.9Very low86 Ų86133.7 Ų133.760%0.60176%0.755SS**  trans66.9114.2149.9-72.50000122.2
100T40.5Very low44.7Very low133 Ų133133.6 Ų133.682%0.81675%0.752SS**  81.1133.171.9-65.50000111.2
101N42.8Very low44.6Very low116 Ų116134.7 Ų134.762%0.6275%0.75SS**  cis171.6163.4-3.2179.520.1000107.2
102E43.1Very low44.3Very low176 Ų176132.7 Ų132.782%0.82275%0.749SS**  trans65.7140.4152.7-91.7170.778.600119.2
103G39.3Very low44Very low67 Ų67128 Ų12869%0.69174%0.739SS**  cis163.5162.47.200000111.2
104A41.2Very low43.9Very low100 Ų100129 Ų12983%0.82674%0.744SS**  trans59.9111.9153.100000119.9
105S40.6Very low43.9Very low111 Ų111126.3 Ų126.378%0.77674%0.736SS**  72.5119.178.4-163.80000114.4
106S46.4Very low43.8Very low119 Ų119127.4 Ų127.483%0.83274%0.739SS**  trans174.7110.2138.4-75.40000112.5
107Q46.1Very low43.4Very low171 Ų171125.6 Ų125.680%0.79974%0.738SS**  trans-76.4164147.2-147.6-171.8-13.500107.9
108P44.6Very low42.9Very low117 Ų117127.3 Ų127.376%0.7674%0.74SS**  -155.8179.583.936.3-12.8000116.3
109E41.8Very low42.7Very low161 Ų161126.2 Ų126.275%0.75274%0.738SS**  trans-51178177.4-62.9160.474.900118.9
110K42.9Very low42.3Very low193 Ų193131.1 Ų131.184%0.83975%0.751SS**  trans126.4135.6133.1-154.8157.7-168-79.70112.3
111V43.8Very low42.2Very low105 Ų105127.9 Ų127.964%0.63674%0.744SS**  cis172163.8-6.8133.50000107.5
112T38.4Very low42.1Very low129 Ų129132 Ų13279%0.79176%0.76SS**  trans74.2148.1152.5-77.90000119
113A41.5Very low42Very low68 Ų68127.7 Ų127.756%0.56275%0.754SS**  cis179.2171.2-16.500000109.2
114E43.5Very low41.9Very low181 Ų181131 Ų13185%0.84676%0.756SS**  trans71.3151.8150.6-78.6178.270.700119
115S43.8Very low42.2Very low87 Ų87132 Ų13261%0.60876%0.757SS**  cis-168.1138.711.9-117.60000108.2
116S45.2Very low42.2Very low105 Ų105132.5 Ų132.573%0.73476%0.755SS**  92.613795.7-63.10000118.9
117D37.4Very low42.5Very low140 Ų140131.9 Ų131.975%0.74975%0.748SS**  trans71.5145.4148.3-112.3-126.3000120.1
118K41.2Very low42.3Very low172 Ų172129.1 Ų129.175%0.74875%0.748SS**  cis-175.5135.515.2-157178.9-160.5-1780113.6
119V39Very low43Very low113 Ų113129.1 Ų129.169%0.68575%0.748SS**  trans37.3126.2135.1-164.20000125.1
120H45.1Very low43.5Very low190 Ų190126.7 Ų126.788%0.8875%0.746SS**  157.1140124.4-102.884.8000109.7
121G38.7Very low43.3Very low65 Ų65126.2 Ų126.267%0.6775%0.752SS**  cis166.7146.2-1.600000110.5
122Q40.5Very low43.1Very low202 Ų202126.1 Ų126.194%0.94476%0.762SS**  trans63.4144.4152.1-101.1171-21.100120.9
123A41.3Very low43.1Very low86 Ų86130.2 Ų130.271%0.71177%0.769SS**  cis-157.9131.29.200000108.1
124D37.8Very low42.8Very low137 Ų137131.6 Ų131.673%0.73378%0.78SS**  61101.683.9-154.7-109.4000117.2
125S47.3Very low42.5Very low119 Ų119131.6 Ų131.683%0.83278%0.78SS**  trans-173.8111.9132-80.10000112
126T40.9Very low43.1Very low122 Ų122132.8 Ų132.875%0.74879%0.786SS**  trans-68.7-170.2176.540.20000116
127P52.3Low43.1Very low106 Ų106133.5 Ų133.569%0.68879%0.788SS**  -140.8171.1-66.942.6-24.9000113.8
128S42Very low43.1Very low114 Ų114133.4 Ų133.480%0.79779%0.793SS**  160.8145.9126.7-72.60000114.9
129P58.9Low43Very low116 Ų116132.4 Ų132.475%0.75380%0.795SS**  trans-126.8-153.9-162.442.1-21.6000112
130P51.4Low43.3Very low110 Ų110132.9 Ų132.971%0.71480%0.799SS**  cis-128.7148.5-34.424.5-4.8000113.1
131L39.5Very low43.2Very low183 Ų183129.7 Ų129.796%0.95879%0.794SS**  trans-176.188.4145.4-131.578.2000110.6
132A39.5Very low43.2Very low103 Ų103130.9 Ų130.985%0.85180%0.798SS**  trans-170.7134.4159.900000110.1
133K39.1Very low43.4Very low216 Ų216126.2 Ų126.294%0.93979%0.794SS**  trans-78.1134.2-176.7-156.9154.4-179.5174.70109.2
134A34.6Very low43.2Very low96 Ų96129.8 Ų129.879%0.79380%0.796SS**  trans-89.8139.3-159.200000114.9
135E37.4Very low43.4Very low181 Ų181127.5 Ų127.585%0.84680%0.796SS**  trans-82.6-164.7145.5-65.6174.771.600110
136P55.9Low43.4Very low113 Ų113126.9 Ų126.973%0.73479%0.789SS**  -96.8-171.4-112.240.6-20.2000112.7
137P45.2Very low43.8Very low119 Ų119128.4 Ų128.477%0.77379%0.792SS**  -156.7170.478.538.1-14.9000117.2
138T37.7Very low43.6Very low138 Ų138129.5 Ų129.585%0.84779%0.788SS**  trans-33.7121.8155.9-40.80000115
139D38.4Very low44.3Very low151 Ų151129.8 Ų129.881%0.80778%0.781SS**  trans-162.7130.8144.3-156.1-125.2000110.3
140V45.4Very low44.8Very low124 Ų124128 Ų12875%0.75277%0.767SS**  trans-86.2143.5-177.4-80.20000111
141P43.7Very low46.1Very low122 Ų122127.5 Ų127.579%0.79276%0.759SS**  trans-111.9117.6143.123.8-9.1000109A143P141-A143 PolarHBondContact O-N 3.26Å
142A38Very low48.2Very low91 Ų91123.7 Ų123.775%0.75274%0.74SS**  trans-49.6120168.500000111.2
143A44.9Very low50.4Low104 Ų104124.6 Ų124.686%0.8673%0.726SS**  trans-111.879.215800000107.1P141P141-A143 PolarHBondContact O-N 3.26Å
144Q38.3Very low52.9Low161 Ų161115.4 Ų115.475%0.75269%0.686SS**  trans-80.8145.4165.8-74.3-179.4-13.100109.5
145A41.9Very low55.6Low89 Ų89113.7 Ų113.774%0.73666%0.662SS**  trans83.1128.6174.400000116.9
146P46Very low58.2Low105 Ų105114.5 Ų114.568%0.68266%0.657SS**SBendcis-122.915.6218.817.5000118.4E148P146-E148 PolarHBondContact O-N 3.36Å
147L49.2Very low59.9Low154 Ų154110.1 Ų110.181%0.80663%0.628SS**SBendtrans-76.9-8.3-171.3-84.4157.5000116.9
148E48.6Very low62.2Low130 Ų130104.5 Ų104.561%0.60759%0.591SS**SBendtrans-78.8-34.7-175-63.5-169.8101.500113.2P146 T150 N151 D152P146-E148 PolarHBondContact O-N 3.36Å; E148-T150 VanDerWaalsContact C-N 3.28Å; E148-T150 PolarHBondContact O-N 2.86Å; E148-N151 PolarHBondContact O-N 3.2Å; E148-D152 PolarHBondContact O-N 3.05Å
149N57.4Low64.9Low120 Ų120101.5 Ų101.564%0.64257%0.57SS**Hα-helixtrans-60.7-34-176.3-77.2-61.7000113.5N151 E153N149-N151 VanDerWaalsContact C-N 3.27Å; N149-N151 PolarHBondContact O-N 3.19Å; N149-E153 PolarHBondContact O-N 3.44Å; N149-E153 VanDerWaalsContact O-N 3.14Å
150T67.8Low67.5Low77 Ų77100 Ų10047%0.47256%0.558SS.*Hα-helixtrans-69.7-28.1179.5-38.90000112E148 F154E148-T150 VanDerWaalsContact C-N 3.28Å; E148-T150 PolarHBondContact O-N 2.86Å; T150-F154 WeakPolarHBondContact O-CB 3.37Å; T150-F154 PolarHBondContact O-N 3.23Å; T150-F154 VanDerWaalsContact O-N 3.13Å
151N78.7Confident69.7Low100 Ų10094.1 Ų94.154%0.53552%0.522SS..Hα-helixtrans-81-37.7179.4-156.7-2.7000111.4E148 N149 F154 E155E148-N151 PolarHBondContact O-N 3.2Å; N149-N151 VanDerWaalsContact C-N 3.27Å; N149-N151 PolarHBondContact O-N 3.19Å; N151-F154 PolarHBondContact O-N 2.82Å; N151-E155 PolarHBondContact O-N 3.29Å
152D85Confident72.1Confident104 Ų10489.9 Ų89.956%0.55649%0.494SS*.Hα-helixtrans-61.3-42171.7-79-77.1000112.3E148 R156E148-D152 PolarHBondContact O-N 3.05Å; D152-R156 WeakPolarHBondContact O-CB 3.48Å; D152-R156 WeakPolarHBondContact O-CG 3.41Å; D152-R156 PolarHBondContact O-N 2.88Å
153E85.7Confident74.7Confident122 Ų12290.4 Ų90.457%0.5749%0.492SS*.Hα-helixtrans-63.5-45.5174.2-122.617690.400111.4N149 E155 R156 L157N149-E153 PolarHBondContact O-N 3.44Å; N149-E153 VanDerWaalsContact O-N 3.14Å; E153-E155 PolarHBondContact O-N 2.91Å; E153-R156 PolarHBondContact O-N 3.31Å; E153-L157 WeakPolarHBondContact O-CD1 3.41Å; E153-L157 VanDerWaalsContact O-CG 3.22Å; E153-L157 WeakPolarHBondContact O-CG 3.39Å; E153-L157 PolarHBondContact O-N 2.81Å
154F90.4Very high76.7Confident23 Ų2390.9 Ų90.910%0.10148%0.478CS..Hα-helixtrans-58.9-48.1176.6-179.7-98.4000112.2T150 N151 R156 L157 V158 R172 L175 N180T150-F154 WeakPolarHBondContact O-CB 3.37Å; T150-F154 PolarHBondContact O-N 3.23Å; T150-F154 VanDerWaalsContact O-N 3.13Å; N151-F154 PolarHBondContact O-N 2.82Å; F154-R156 PolarHBondContact O-N 3.48Å; F154-L157 PolarHBondContact O-N 3.45Å; F154-V158 HydrophobicContact CD1-CG2 3.97Å; F154-V158 HydrophobicContact CE1-CG2 3.74Å; F154-V158 HydrophobicContact CE2-CG2 4.45Å; F154-V158 HydrophobicContact CG-CG2 4.43Å; F154-V158 HydrophobicContact CZ-CG2 4.01Å; F154-V158 WeakPolarHBondContact O-CB 3.17Å; F154-V158 WeakPolarHBondContact O-CG2 3.2Å; F154-V158 PolarHBondContact O-N 2.9Å; F154-R172 HydrophobicContact CE1-CB 4.35Å; F154-R172 HydrophobicContact CE1-CG 3.76Å; F154-R172 HydrophobicContact CZ-CB 3.81Å; F154-R172 HydrophobicContact CZ-CG 3.71Å; F154-L175 HydrophobicContact CD2-CB 4.01Å; F154-L175 HydrophobicContact CE2-CB 3.56Å; F154-L175 HydrophobicContact CZ-CB 4.47Å; F154-N180 WeakPolarHBondContact CD2-OD1 3.27Å
155E91.1Very high79.1Confident59 Ų5986.4 Ų86.428%0.27648%0.476SS..Hα-helixtrans-68.7-31.8179.6-75.4-71.2126.600112.8N151 E153 V158 N159 R172N151-E155 PolarHBondContact O-N 3.29Å; E153-E155 PolarHBondContact O-N 2.91Å; E155-V158 PolarHBondContact O-N 3.42Å; E155-N159 PolarHBondContact O-N 2.91Å; E155-R172 IonicContact OE1-CZ 3.43Å; E155-R172 IonicContact OE1-NE 2.74Å; E155-R172 PolarHBondContact OE1-NE 3.43Å; E155-R172 IonicContact OE1-NH2 2.73Å; E155-R172 PolarHBondContact OE1-NH2 3.44Å; E155-R172 IonicContact OE2-NH2 3.54Å
156R92.6Very high81.4Confident198 Ų19884.4 Ų84.475%0.74745%0.45SS*.Hα-helixtrans-61.6-49.6169.5-84.2-170.7-178.8-170.93.3111.4D152 E153 F154 V158 N159 E160D152-R156 WeakPolarHBondContact O-CB 3.48Å; D152-R156 WeakPolarHBondContact O-CG 3.41Å; D152-R156 PolarHBondContact O-N 2.88Å; E153-R156 PolarHBondContact O-N 3.31Å; F154-R156 PolarHBondContact O-N 3.48Å; R156-V158 VanDerWaalsContact C-N 3.32Å; R156-V158 PolarHBondContact O-N 3.37Å; R156-N159 PolarHBondContact O-N 3.24Å; R156-E160 PolarHBondContact O-N 3.47Å
157L92.3Very high83.6Confident22 Ų2282.3 Ų82.312%0.11544%0.437CS..Hα-helixtrans-62.5-40.5177.9-67.6159.7000111.3E153 F154 N159 E160 I161 L175 N180 P182E153-L157 WeakPolarHBondContact O-CD1 3.41Å; E153-L157 VanDerWaalsContact O-CG 3.22Å; E153-L157 WeakPolarHBondContact O-CG 3.39Å; E153-L157 PolarHBondContact O-N 2.81Å; F154-L157 PolarHBondContact O-N 3.45Å; L157-N159 PolarHBondContact O-N 3.17Å; L157-E160 PolarHBondContact O-N 3.5Å; L157-I161 WeakPolarHBondContact O-CG1 3.29Å; L157-I161 PolarHBondContact O-N 2.82Å; L157-L175 HydrophobicContact CB-CD1 3.73Å; L157-L175 HydrophobicContact CB-CD2 3.59Å; L157-L175 HydrophobicContact CB-CG 4.32Å; L157-L175 HydrophobicContact CD1-CD2 3.7Å; L157-L175 HydrophobicContact CG-CD2 4.15Å; L157-N180 HydrophobicContact CD1-CB 4.16Å; L157-N180 WeakPolarHBondContact CD1-O 3.23Å; L157-P182 HydrophobicContact CD2-CB 3.81Å; L157-P182 HydrophobicContact CD2-CG 3.74Å
158V94Very high85.6Confident0 Ų080.2 Ų80.20%042%0.418CS..Hα-helixtrans-59.9-46.2174.9170.50000110.6F154 E155 R156 T162 R168 V171 R172 L175F154-V158 HydrophobicContact CD1-CG2 3.97Å; F154-V158 HydrophobicContact CE1-CG2 3.74Å; F154-V158 HydrophobicContact CE2-CG2 4.45Å; F154-V158 HydrophobicContact CG-CG2 4.43Å; F154-V158 HydrophobicContact CZ-CG2 4.01Å; F154-V158 WeakPolarHBondContact O-CB 3.17Å; F154-V158 WeakPolarHBondContact O-CG2 3.2Å; F154-V158 PolarHBondContact O-N 2.9Å; E155-V158 PolarHBondContact O-N 3.42Å; R156-V158 VanDerWaalsContact C-N 3.32Å; R156-V158 PolarHBondContact O-N 3.37Å; V158-T162 WeakPolarHBondContact O-CB 3.33Å; V158-T162 PolarHBondContact O-N 3.08Å; V158-T162 PolarHBondContact O-OG1 2.78Å; V158-R168 HydrophobicContact CG1-CG 4.16Å; V158-V171 HydrophobicContact CB-CG1 4.21Å; V158-V171 HydrophobicContact CG1-CG1 4.15Å; V158-V171 HydrophobicContact CG2-CG1 4.18Å; V158-R172 HydrophobicContact CG1-CG 4.23Å; V158-R172 HydrophobicContact CG2-CG 3.69Å; V158-L175 HydrophobicContact CB-CD1 4.4Å; V158-L175 HydrophobicContact CG2-CD1 3.68Å
159N93.9Very high87.5Confident76 Ų7678.3 Ų78.341%0.40642%0.417SS..Hα-helixtrans-64.2-40.1177.4-93-36000112.6E155 R156 L157 S163 R168E155-N159 PolarHBondContact O-N 2.91Å; R156-N159 PolarHBondContact O-N 3.24Å; L157-N159 PolarHBondContact O-N 3.17Å; N159-S163 WeakPolarHBondContact O-CB 3.4Å; N159-S163 PolarHBondContact O-N 3.46Å; N159-S163 PolarHBondContact O-OG 2.97Å; N159-R168 PolarHBondContact OD1-NH2 2.82Å
160E92.5Very high89.1Confident120 Ų12075.9 Ų75.956%0.56140%0.404SS*.Hα-helixtrans-61.7-49.8177.7-173.7163.386.400111.6R156 L157 S163 M164R156-E160 PolarHBondContact O-N 3.47Å; L157-E160 PolarHBondContact O-N 3.5Å; E160-S163 WeakPolarHBondContact O-CB 3.42Å; E160-S163 PolarHBondContact O-N 3.14Å; E160-M164 PolarHBondContact O-N 3.3Å
161I92.1Very high90.4Very high0 Ų072.2 Ų72.20%038%0.381CS..Hα-helixtrans-73.1-35.2-179.6-56.3173.5000111.8L157 S163 M164 F166 V171 L175 P182 A185 V186 L189L157-I161 WeakPolarHBondContact O-CG1 3.29Å; L157-I161 PolarHBondContact O-N 2.82Å; I161-S163 PolarHBondContact O-N 3.13Å; I161-M164 HydrophobicContact CB-CE 4.06Å; I161-M164 HydrophobicContact CG1-CE 3.87Å; I161-M164 HydrophobicContact CG2-CE 4.12Å; I161-M164 WeakPolarHBondContact O-CB 3.3Å; I161-M164 PolarHBondContact O-N 3.18Å; I161-F166 HydrophobicContact CG2-CB 4.24Å; I161-F166 HydrophobicContact CG2-CD2 3.7Å; I161-F166 HydrophobicContact CG2-CE2 4.49Å; I161-F166 HydrophobicContact CG2-CG 4.3Å; I161-V171 HydrophobicContact CB-CG1 3.7Å; I161-V171 HydrophobicContact CB-CG2 4.19Å; I161-V171 HydrophobicContact CD1-CG1 4.24Å; I161-V171 HydrophobicContact CG2-CB 4.4Å; I161-V171 HydrophobicContact CG2-CG1 3.93Å; I161-V171 HydrophobicContact CG2-CG2 3.65Å; I161-L175 HydrophobicContact CD1-CD1 3.87Å; I161-L175 HydrophobicContact CD1-CG 4.09Å; I161-P182 HydrophobicContact CD1-CB 4.14Å; I161-P182 HydrophobicContact CG1-CB 4.47Å; I161-A185 HydrophobicContact CD1-CB 3.67Å; I161-V186 HydrophobicContact CD1-CG2 4.44Å; I161-V186 HydrophobicContact CG1-CG2 4.31Å; I161-V186 HydrophobicContact CG2-CG2 4.14Å; I161-L189 HydrophobicContact CG2-CD1 3.51Å
162T93.6Very high91.1Very high32 Ų3272.4 Ų72.420%0.19638%0.375CS..Hα-helixtrans-61-33.6171.5-58.30000111V158 M164 G165 R168V158-T162 WeakPolarHBondContact O-CB 3.33Å; V158-T162 PolarHBondContact O-N 3.08Å; V158-T162 PolarHBondContact O-OG1 2.78Å; T162-M164 PolarHBondContact O-N 3.38Å; T162-G165 PolarHBondContact O-N 3.24Å; T162-R168 HydrophobicContact CG2-CG 3.94Å; T162-R168 WeakPolarHBondContact OG1-CG 3.44Å
163S92.1Very high91.3Very high103 Ų10372.4 Ų72.472%0.7237%0.37SS*.Hα-helixtrans-68.5-18.9177-58.30000113N159 E160 I161 G165N159-S163 WeakPolarHBondContact O-CB 3.4Å; N159-S163 PolarHBondContact O-N 3.46Å; N159-S163 PolarHBondContact O-OG 2.97Å; E160-S163 WeakPolarHBondContact O-CB 3.42Å; E160-S163 PolarHBondContact O-N 3.14Å; I161-S163 PolarHBondContact O-N 3.13Å; S163-G165 VanDerWaalsContact C-N 3.25Å
164M86.8Confident91.6Very high113 Ų11366.6 Ų66.656%0.55734%0.343SS*.THydrogen-bonded Turntrans-79.1-5.7170.6-65.1-171.2-89.400113.3E160 I161 T162 F166 V186E160-M164 PolarHBondContact O-N 3.3Å; I161-M164 HydrophobicContact CB-CE 4.06Å; I161-M164 HydrophobicContact CG1-CE 3.87Å; I161-M164 HydrophobicContact CG2-CE 4.12Å; I161-M164 WeakPolarHBondContact O-CB 3.3Å; I161-M164 PolarHBondContact O-N 3.18Å; T162-M164 PolarHBondContact O-N 3.38Å; M164-F166 HydrophobicContact CB-CD2 4Å; M164-F166 HydrophobicContact CB-CE2 4.06Å; M164-V186 HydrophobicContact CE-CG2 3.45Å; M164-V186 VanDerWaalsContact CE-CG2 3.45Å; M164-V186 HydrophobicContact SD-CG2 4.43Å
165G90Very high91.7Very high68 Ų6865.5 Ų65.570%0.70134%0.338SS*.THydrogen-bonded Turntrans102.54.6176.200000115T162 S163T162-G165 PolarHBondContact O-N 3.24Å; S163-G165 VanDerWaalsContact C-N 3.25Å
166F90.2Very high91.6Very high46 Ų4671.6 Ų71.620%0.20236%0.358CS..  trans-79.4145174.4-62-75.2000111.6I161 M164 R168 V171 V186 L189 T190I161-F166 HydrophobicContact CG2-CB 4.24Å; I161-F166 HydrophobicContact CG2-CD2 3.7Å; I161-F166 HydrophobicContact CG2-CE2 4.49Å; I161-F166 HydrophobicContact CG2-CG 4.3Å; M164-F166 HydrophobicContact CB-CD2 4Å; M164-F166 HydrophobicContact CB-CE2 4.06Å; F166-R168 PolarHBondContact O-N 3.01Å; F166-V171 HydrophobicContact CB-CG2 3.49Å; F166-V171 VanDerWaalsContact CB-CG2 3.49Å; F166-V186 HydrophobicContact CE2-CG1 4.31Å; F166-V186 HydrophobicContact CZ-CG1 4.43Å; F166-L189 HydrophobicContact CB-CD1 3.88Å; F166-L189 HydrophobicContact CB-CD2 4.42Å; F166-L189 HydrophobicContact CD1-CB 3.61Å; F166-L189 HydrophobicContact CD1-CD1 4.03Å; F166-L189 HydrophobicContact CD1-CD2 4.26Å; F166-L189 HydrophobicContact CD1-CG 4.18Å; F166-L189 HydrophobicContact CD2-CD1 4Å; F166-L189 HydrophobicContact CE1-CB 3.59Å; F166-L189 HydrophobicContact CG-CB 4.17Å; F166-L189 HydrophobicContact CG-CD1 3.7Å; F166-L189 HydrophobicContact CG-CG 4.35Å; F166-L189 HydrophobicContact CZ-CB 4.14Å; F166-T190 HydrophobicContact CE1-CG2 4.11Å; F166-T190 HydrophobicContact CZ-CG2 3.72Å
167P92.1Very high91.4Very high62 Ų6264.6 Ų64.640%0.40334%0.335SS..  trans-71.2130.2-179.829.1-34.2000110.9P169 D170 V171P167-P169 VanDerWaalsContact C-N 3.31Å; P167-P169 HydrophobicContact CB-CG 4.26Å; P167-P169 VanDerWaalsContact O-N 3.08Å; P167-D170 HydrophobicContact CG-CB 3.91Å; P167-D170 WeakPolarHBondContact CG-OD2 3.38Å; P167-D170 PolarHBondContact O-N 3.17Å; P167-V171 WeakPolarHBondContact O-CG2 3.25Å; P167-V171 PolarHBondContact O-N 3.48Å
168R90.5Very high91.2Very high109 Ų10963.6 Ų63.641%0.41133%0.33SS..Hα-helixtrans-36.5-48.6174.5-92.8-177.8149.994.94.9115.7V158 N159 T162 F166 V171 R172V158-R168 HydrophobicContact CG1-CG 4.16Å; N159-R168 PolarHBondContact OD1-NH2 2.82Å; T162-R168 HydrophobicContact CG2-CG 3.94Å; T162-R168 WeakPolarHBondContact OG1-CG 3.44Å; F166-R168 PolarHBondContact O-N 3.01Å; R168-V171 PolarHBondContact O-N 3.41Å; R168-R172 WeakPolarHBondContact O-CG 3.47Å; R168-R172 PolarHBondContact O-N 3.17Å
169P89.6Confident91Very high90 Ų9071.1 Ų71.158%0.58436%0.363SS*.Hα-helixtrans-62.8-42.2-179.722.7-34.4000113.2P167 R172 K173P167-P169 VanDerWaalsContact C-N 3.31Å; P167-P169 HydrophobicContact CB-CG 4.26Å; P167-P169 VanDerWaalsContact O-N 3.08Å; P169-R172 PolarHBondContact O-N 3.48Å; P169-K173 PolarHBondContact O-N 3.08Å; P169-K173 VanDerWaalsContact O-N 3.12Å
170D90.8Very high90.8Very high69 Ų6970.1 Ų70.137%0.36936%0.358SS..Hα-helixtrans-71.8-38179.3-63-27.6000110.7P167 R172 K173 A174 L189 F193P167-D170 HydrophobicContact CG-CB 3.91Å; P167-D170 WeakPolarHBondContact CG-OD2 3.38Å; P167-D170 PolarHBondContact O-N 3.17Å; D170-R172 VanDerWaalsContact C-N 3.33Å; D170-R172 PolarHBondContact O-N 3.46Å; D170-K173 WeakPolarHBondContact O-CB 3.32Å; D170-K173 PolarHBondContact O-N 3.49Å; D170-A174 VanDerWaalsContact O-CB 3.29Å; D170-A174 WeakPolarHBondContact O-CB 3.48Å; D170-A174 PolarHBondContact O-N 3.33Å; D170-L189 HydrophobicContact CB-CD2 3.48Å; D170-L189 VanDerWaalsContact CB-CD2 3.48Å; D170-F193 HydrophobicContact CB-CZ 4.15Å
171V93.8Very high90.7Very high0 Ų068.5 Ų68.50%035%0.353CS..Hα-helixtrans-58.5-45.4174.5173.10000111.2V158 I161 F166 P167 R168 K173 A174 L175 L189V158-V171 HydrophobicContact CB-CG1 4.21Å; V158-V171 HydrophobicContact CG1-CG1 4.15Å; V158-V171 HydrophobicContact CG2-CG1 4.18Å; I161-V171 HydrophobicContact CB-CG1 3.7Å; I161-V171 HydrophobicContact CB-CG2 4.19Å; I161-V171 HydrophobicContact CD1-CG1 4.24Å; I161-V171 HydrophobicContact CG2-CB 4.4Å; I161-V171 HydrophobicContact CG2-CG1 3.93Å; I161-V171 HydrophobicContact CG2-CG2 3.65Å; F166-V171 HydrophobicContact CB-CG2 3.49Å; F166-V171 VanDerWaalsContact CB-CG2 3.49Å; P167-V171 WeakPolarHBondContact O-CG2 3.25Å; P167-V171 PolarHBondContact O-N 3.48Å; R168-V171 PolarHBondContact O-N 3.41Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 2.73Å; V171-A174 PolarHBondContact O-N 3.26Å; V171-L175 HydrophobicContact CG1-CD1 3.76Å; V171-L175 WeakPolarHBondContact O-CB 3.42Å; V171-L175 PolarHBondContact O-N 2.9Å; V171-L189 HydrophobicContact CG2-CD1 3.89Å
172R93.1Very high90.7Very high105 Ų10570.6 Ų70.640%0.39637%0.367SS..Hα-helixtrans-63-40176.3-76.7-176.3169.6170.1-1.1112.2F154 E155 V158 R168 P169 D170 R176F154-R172 HydrophobicContact CE1-CB 4.35Å; F154-R172 HydrophobicContact CE1-CG 3.76Å; F154-R172 HydrophobicContact CZ-CB 3.81Å; F154-R172 HydrophobicContact CZ-CG 3.71Å; E155-R172 IonicContact OE1-CZ 3.43Å; E155-R172 IonicContact OE1-NE 2.74Å; E155-R172 PolarHBondContact OE1-NE 3.43Å; E155-R172 IonicContact OE1-NH2 2.73Å; E155-R172 PolarHBondContact OE1-NH2 3.44Å; E155-R172 IonicContact OE2-NH2 3.54Å; V158-R172 HydrophobicContact CG1-CG 4.23Å; V158-R172 HydrophobicContact CG2-CG 3.69Å; R168-R172 WeakPolarHBondContact O-CG 3.47Å; R168-R172 PolarHBondContact O-N 3.17Å; P169-R172 PolarHBondContact O-N 3.48Å; D170-R172 VanDerWaalsContact C-N 3.33Å; D170-R172 PolarHBondContact O-N 3.46Å; R172-R176 WeakPolarHBondContact O-CB 3.26Å; R172-R176 PolarHBondContact O-N 3.19Å; R172-R176 VanDerWaalsContact O-N 3.15Å
173K90.7Very high90.5Very high103 Ų10375.6 Ų75.645%0.44839%0.392SS..Hα-helixtrans-64.6-45.6175.4-170.7178.1-179.7-1770110.8P169 D170 V171 R176 L177 F193P169-K173 PolarHBondContact O-N 3.08Å; P169-K173 VanDerWaalsContact O-N 3.12Å; D170-K173 WeakPolarHBondContact O-CB 3.32Å; D170-K173 PolarHBondContact O-N 3.49Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 2.73Å; K173-R176 PolarHBondContact O-N 2.81Å; K173-L177 HydrophobicContact CG-CD1 4.12Å; K173-L177 WeakPolarHBondContact O-CG 3.47Å; K173-L177 PolarHBondContact O-N 3.49Å; K173-F193 HydrophobicContact CB-CE1 4.07Å; K173-F193 HydrophobicContact CB-CZ 4.22Å; K173-F193 HydrophobicContact CD-CD1 4.49Å; K173-F193 HydrophobicContact CD-CE1 4.11Å; K173-F193 HydrophobicContact CD-CE2 4.35Å; K173-F193 HydrophobicContact CD-CZ 4.04Å; K173-F193 HydrophobicContact CG-CD1 4.43Å; K173-F193 HydrophobicContact CG-CE1 3.94Å; K173-F193 HydrophobicContact CG-CZ 4.27Å
174A90.9Very high90.4Very high0 Ų077.2 Ų77.20%038%0.383CS..Hα-helixtrans-63.8-46.6-179.600000111.9D170 V171 R176 L177 A178 A185 L189 F193D170-A174 VanDerWaalsContact O-CB 3.29Å; D170-A174 WeakPolarHBondContact O-CB 3.48Å; D170-A174 PolarHBondContact O-N 3.33Å; V171-A174 PolarHBondContact O-N 3.26Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 2.86Å; A174-L177 PolarHBondContact O-N 3.3Å; A174-A178 WeakPolarHBondContact O-CB 3.17Å; A174-A178 PolarHBondContact O-N 3.37Å; A174-A185 HydrophobicContact CB-CB 3.8Å; A174-A185 WeakPolarHBondContact CB-O 3.33Å; A174-L189 HydrophobicContact CB-CD1 4.15Å; A174-L189 HydrophobicContact CB-CD2 4.22Å; A174-L189 HydrophobicContact CB-CG 3.84Å; A174-F193 HydrophobicContact CB-CE1 3.78Å; A174-F193 HydrophobicContact CB-CZ 4.49Å
175L92.3Very high90.7Very high0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-62.6-35.5176.6-93.8152.1000113F154 L157 V158 I161 V171 F179 N180 A185F154-L175 HydrophobicContact CD2-CB 4.01Å; F154-L175 HydrophobicContact CE2-CB 3.56Å; F154-L175 HydrophobicContact CZ-CB 4.47Å; L157-L175 HydrophobicContact CB-CD1 3.73Å; L157-L175 HydrophobicContact CB-CD2 3.59Å; L157-L175 HydrophobicContact CB-CG 4.32Å; L157-L175 HydrophobicContact CD1-CD2 3.7Å; L157-L175 HydrophobicContact CG-CD2 4.15Å; V158-L175 HydrophobicContact CB-CD1 4.4Å; V158-L175 HydrophobicContact CG2-CD1 3.68Å; I161-L175 HydrophobicContact CD1-CD1 3.87Å; I161-L175 HydrophobicContact CD1-CG 4.09Å; V171-L175 HydrophobicContact CG1-CD1 3.76Å; V171-L175 WeakPolarHBondContact O-CB 3.42Å; V171-L175 PolarHBondContact O-N 2.9Å; L175-F179 PolarHBondContact O-N 3.14Å; L175-N180 PolarHBondContact O-N 3.4Å; L175-A185 HydrophobicContact CG-CB 3.98Å
176R89.3Confident90.8Very high188 Ų18870.4 Ų70.471%0.70933%0.333SS*.Hα-helixtrans-69.3-43.2176.9-169.7175.9-79.5146.5-6.8111.4R172 K173 A174 A178 F179R172-R176 WeakPolarHBondContact O-CB 3.26Å; R172-R176 PolarHBondContact O-N 3.19Å; R172-R176 VanDerWaalsContact O-N 3.15Å; K173-R176 PolarHBondContact O-N 2.81Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 2.86Å; R176-A178 VanDerWaalsContact C-N 3.33Å; R176-F179 PolarHBondContact O-N 3.28Å
177L88.6Confident90.8Very high50 Ų5072.9 Ų72.926%0.26235%0.346SS..Hα-helixtrans-68.3-34174.6-69.9165.3000112.2K173 A174 F179 Y188 F193K173-L177 HydrophobicContact CG-CD1 4.12Å; K173-L177 WeakPolarHBondContact O-CG 3.47Å; K173-L177 PolarHBondContact O-N 3.49Å; A174-L177 PolarHBondContact O-N 3.3Å; L177-F179 WeakPolarHBondContact O-CD2 3.46Å; L177-F179 PolarHBondContact O-N 3.46Å; L177-Y188 HydrophobicContact CB-CD2 3.96Å; L177-Y188 HydrophobicContact CB-CE2 3.83Å; L177-F193 HydrophobicContact CD1-CB 4.32Å; L177-F193 HydrophobicContact CD1-CD1 3.45Å; L177-F193 VanDerWaalsContact CD1-CD1 3.45Å; L177-F193 HydrophobicContact CD1-CE1 4.14Å; L177-F193 HydrophobicContact CD1-CG 4.24Å
178A89Confident90.7Very high1 Ų171.1 Ų71.11%0.00833%0.331CS..THydrogen-bonded Turntrans-836.1179.800000113.5A174 R176 N180 N181 R184 A185 Y188A174-A178 WeakPolarHBondContact O-CB 3.17Å; A174-A178 PolarHBondContact O-N 3.37Å; R176-A178 VanDerWaalsContact C-N 3.33Å; A178-N180 PolarHBondContact O-N 2.82Å; A178-N181 HydrophobicContact CB-CB 4.37Å; A178-N181 WeakPolarHBondContact CB-O 3.21Å; A178-N181 VanDerWaalsContact O-CB 3.28Å; A178-N181 WeakPolarHBondContact O-CB 3.13Å; A178-N181 PolarHBondContact O-N 3.25Å; A178-N181 PolarHBondContact O-ND2 2.87Å; A178-R184 HydrophobicContact CB-CB 3.57Å; A178-A185 HydrophobicContact CB-CB 4.06Å; A178-Y188 HydrophobicContact CB-CD2 4.18Å; A178-Y188 HydrophobicContact CB-CE2 3.92Å
179F88.4Confident90.7Very high159 Ų15967.4 Ų67.470%0.69732%0.319SS*.THydrogen-bonded Turntrans50.953.8-177.1-71.6-96000112.8L175 R176 L177 N181L175-F179 PolarHBondContact O-N 3.14Å; R176-F179 PolarHBondContact O-N 3.28Å; L177-F179 WeakPolarHBondContact O-CD2 3.46Å; L177-F179 PolarHBondContact O-N 3.46Å; F179-N181 PolarHBondContact O-N 2.8Å; F179-N181 PolarHBondContact O-ND2 3.14Å
180N89.8Confident90.7Very high55 Ų5567.4 Ų67.429%0.29432%0.318SS..THydrogen-bonded Turntrans59.422.7-177.2-64.3-72.5000115F154 L157 L175 A178F154-N180 WeakPolarHBondContact CD2-OD1 3.27Å; L157-N180 HydrophobicContact CD1-CB 4.16Å; L157-N180 WeakPolarHBondContact CD1-O 3.23Å; L175-N180 PolarHBondContact O-N 3.4Å; A178-N180 PolarHBondContact O-N 2.82Å
181N92.2Very high90.5Very high86 Ų8669.6 Ų69.646%0.4633%0.334SS..  trans-93.7122.9171.2-82.2-96.1000111.6A178 F179 R184 A185A178-N181 HydrophobicContact CB-CB 4.37Å; A178-N181 WeakPolarHBondContact CB-O 3.21Å; A178-N181 VanDerWaalsContact O-CB 3.28Å; A178-N181 WeakPolarHBondContact O-CB 3.13Å; A178-N181 PolarHBondContact O-N 3.25Å; A178-N181 PolarHBondContact O-ND2 2.87Å; F179-N181 PolarHBondContact O-N 2.8Å; F179-N181 PolarHBondContact O-ND2 3.14Å; N181-R184 HydrophobicContact CB-CB 4.23Å; N181-A185 VanDerWaalsContact O-CB 3.27Å; N181-A185 WeakPolarHBondContact O-CB 2.95Å; N181-A185 PolarHBondContact O-N 2.75Å; N181-A185 VanDerWaalsContact O-N 3.1Å
182P90.2Very high89.9Confident44 Ų4471.4 Ų71.429%0.28635%0.353SS..Hα-helixtrans-70.1-36.9179.825.9-30.9000112.8L157 I161 A185 V186L157-P182 HydrophobicContact CD2-CB 3.81Å; L157-P182 HydrophobicContact CD2-CG 3.74Å; I161-P182 HydrophobicContact CD1-CB 4.14Å; I161-P182 HydrophobicContact CG1-CB 4.47Å; P182-A185 PolarHBondContact O-N 2.88Å; P182-V186 WeakPolarHBondContact O-CG2 3.38Å; P182-V186 PolarHBondContact O-N 2.86Å
183D91.1Very high89.3Confident136 Ų13669.7 Ų69.773%0.72735%0.348SS*.Hα-helixtrans-64.7-50.1-176.9-149.9-100.7000111.3A185 V186 E187D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 3.46Å; D183-V186 PolarHBondContact O-N 3.47Å; D183-E187 PolarHBondContact O-N 3.17Å
184R90Very high88.1Confident138 Ų13866.9 Ų66.952%0.52134%0.34SS..Hα-helixtrans-63-35.4171.6-86.4-164.4-179.9-172.61.4113A178 N181 E187 Y188A178-R184 HydrophobicContact CB-CB 3.57Å; N181-R184 HydrophobicContact CB-CB 4.23Å; R184-E187 WeakPolarHBondContact O-CB 3.35Å; R184-E187 PolarHBondContact O-N 2.86Å; R184-Y188 HydrophobicContact CB-CE2 4.49Å; R184-Y188 WeakPolarHBondContact O-CD2 3.18Å; R184-Y188 VanDerWaalsContact O-CG 3.23Å; R184-Y188 PolarHBondContact O-N 3.29Å
185A91.8Very high86.6Confident0 Ų072.5 Ų72.50%038%0.377CS..Hα-helixtrans-65.5-40.917700000111.4I161 A174 L175 A178 N181 P182 D183 E187 Y188 L189I161-A185 HydrophobicContact CD1-CB 3.67Å; A174-A185 HydrophobicContact CB-CB 3.8Å; A174-A185 WeakPolarHBondContact CB-O 3.33Å; L175-A185 HydrophobicContact CG-CB 3.98Å; A178-A185 HydrophobicContact CB-CB 4.06Å; N181-A185 VanDerWaalsContact O-CB 3.27Å; N181-A185 WeakPolarHBondContact O-CB 2.95Å; N181-A185 PolarHBondContact O-N 2.75Å; N181-A185 VanDerWaalsContact O-N 3.1Å; P182-A185 PolarHBondContact O-N 2.88Å; D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 3.46Å; A185-E187 VanDerWaalsContact C-N 3.34Å; A185-Y188 PolarHBondContact O-N 2.77Å; A185-L189 WeakPolarHBondContact O-CD1 3.5Å; A185-L189 WeakPolarHBondContact O-CG 3.31Å; A185-L189 PolarHBondContact O-N 3.31Å
186V92Very high84.4Confident37 Ų3780.4 Ų80.422%0.22441%0.414CS..Hα-helixtrans-64.7-39.3173.11750000111I161 M164 F166 P182 D183 Y188 L189 T190I161-V186 HydrophobicContact CD1-CG2 4.44Å; I161-V186 HydrophobicContact CG1-CG2 4.31Å; I161-V186 HydrophobicContact CG2-CG2 4.14Å; M164-V186 HydrophobicContact CE-CG2 3.45Å; M164-V186 VanDerWaalsContact CE-CG2 3.45Å; M164-V186 HydrophobicContact SD-CG2 4.43Å; F166-V186 HydrophobicContact CE2-CG1 4.31Å; F166-V186 HydrophobicContact CZ-CG1 4.43Å; P182-V186 WeakPolarHBondContact O-CG2 3.38Å; P182-V186 PolarHBondContact O-N 2.86Å; D183-V186 PolarHBondContact O-N 3.47Å; V186-Y188 PolarHBondContact O-N 2.98Å; V186-L189 PolarHBondContact O-N 2.88Å; V186-T190 HydrophobicContact CG1-CG2 4.25Å; V186-T190 WeakPolarHBondContact O-CB 3.5Å; V186-T190 WeakPolarHBondContact O-CG2 3.27Å; V186-T190 PolarHBondContact O-N 2.92Å; V186-T190 PolarHBondContact O-OG1 2.97Å
187E90.4Very high82.4Confident98 Ų9880.2 Ų80.246%0.45842%0.421SS..Hα-helixtrans-58-47172.8-167.5-179.18500111.2D183 R184 A185 L189 T190 T191D183-E187 PolarHBondContact O-N 3.17Å; R184-E187 WeakPolarHBondContact O-CB 3.35Å; R184-E187 PolarHBondContact O-N 2.86Å; A185-E187 VanDerWaalsContact C-N 3.34Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 3.34Å; E187-T190 WeakPolarHBondContact CA-OG1 3.32Å; E187-T190 PolarHBondContact O-N 3.24Å; E187-T190 VanDerWaalsContact O-N 3.13Å; E187-T190 PolarHBondContact O-OG1 3.46Å; E187-T191 WeakPolarHBondContact O-CA 3.4Å; E187-T191 WeakPolarHBondContact O-CB 3.2Å; E187-T191 PolarHBondContact O-N 2.93Å; E187-T191 PolarHBondContact O-OG1 3.36Å
188Y90.1Very high80Confident26 Ų2681.7 Ų81.710%0.10244%0.435CS..Hα-helixtrans-66.1-29.5177.4-61.3-22.4000113.9L177 A178 R184 A185 V186 G192 F193 P194L177-Y188 HydrophobicContact CB-CD2 3.96Å; L177-Y188 HydrophobicContact CB-CE2 3.83Å; A178-Y188 HydrophobicContact CB-CD2 4.18Å; A178-Y188 HydrophobicContact CB-CE2 3.92Å; R184-Y188 HydrophobicContact CB-CE2 4.49Å; R184-Y188 WeakPolarHBondContact O-CD2 3.18Å; R184-Y188 VanDerWaalsContact O-CG 3.23Å; R184-Y188 PolarHBondContact O-N 3.29Å; A185-Y188 PolarHBondContact O-N 2.77Å; V186-Y188 PolarHBondContact O-N 2.98Å; Y188-G192 CarbonylContact O-C 3.01Å; Y188-G192 WeakPolarHBondContact O-CA 3.3Å; Y188-G192 PolarHBondContact O-N 3.38Å; Y188-G192 VanDerWaalsContact O-N 3.12Å; Y188-F193 PolarHBondContact O-N 2.89Å; Y188-P194 HydrophobicContact CD1-CG 3.78Å; Y188-P194 HydrophobicContact CE1-CB 4.29Å; Y188-P194 HydrophobicContact CE1-CG 3.27Å; Y188-P194 HydrophobicContact CE2-CG 4.28Å; Y188-P194 HydrophobicContact CG-CG 4.46Å
189L90.9Very high77.6Confident30 Ų3085 Ų8516%0.15747%0.47CS..Hα-helixtrans-76.9-24.4175.7-69.4163.5000113I161 F166 D170 V171 A174 A185 V186 E187 F193I161-L189 HydrophobicContact CG2-CD1 3.51Å; F166-L189 HydrophobicContact CB-CD1 3.88Å; F166-L189 HydrophobicContact CB-CD2 4.42Å; F166-L189 HydrophobicContact CD1-CB 3.61Å; F166-L189 HydrophobicContact CD1-CD1 4.03Å; F166-L189 HydrophobicContact CD1-CD2 4.26Å; F166-L189 HydrophobicContact CD1-CG 4.18Å; F166-L189 HydrophobicContact CD2-CD1 4Å; F166-L189 HydrophobicContact CE1-CB 3.59Å; F166-L189 HydrophobicContact CG-CB 4.17Å; F166-L189 HydrophobicContact CG-CD1 3.7Å; F166-L189 HydrophobicContact CG-CG 4.35Å; F166-L189 HydrophobicContact CZ-CB 4.14Å; D170-L189 HydrophobicContact CB-CD2 3.48Å; D170-L189 VanDerWaalsContact CB-CD2 3.48Å; V171-L189 HydrophobicContact CG2-CD1 3.89Å; A174-L189 HydrophobicContact CB-CD1 4.15Å; A174-L189 HydrophobicContact CB-CD2 4.22Å; A174-L189 HydrophobicContact CB-CG 3.84Å; A185-L189 WeakPolarHBondContact O-CD1 3.5Å; A185-L189 WeakPolarHBondContact O-CG 3.31Å; A185-L189 PolarHBondContact O-N 3.31Å; V186-L189 PolarHBondContact O-N 2.88Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 3.34Å; L189-F193 HydrophobicContact CD2-CZ 4.34Å
190T89.1Confident75.3Confident90 Ų9086.7 Ų86.755%0.55248%0.48SS*.Hα-helixtrans-101.1-45.3-176.250.20000112.7F166 V186 E187F166-T190 HydrophobicContact CE1-CG2 4.11Å; F166-T190 HydrophobicContact CZ-CG2 3.72Å; V186-T190 HydrophobicContact CG1-CG2 4.25Å; V186-T190 WeakPolarHBondContact O-CB 3.5Å; V186-T190 WeakPolarHBondContact O-CG2 3.27Å; V186-T190 PolarHBondContact O-N 2.92Å; V186-T190 PolarHBondContact O-OG1 2.97Å; E187-T190 WeakPolarHBondContact CA-OG1 3.32Å; E187-T190 PolarHBondContact O-N 3.24Å; E187-T190 VanDerWaalsContact O-N 3.13Å; E187-T190 PolarHBondContact O-OG1 3.46Å
191T86.2Confident72.8Confident116 Ų11687.5 Ų87.571%0.71250%0.501SS*.Hα-helixtrans-84.2-20.9177.8-47.70000112.1E187E187-T191 WeakPolarHBondContact O-CA 3.4Å; E187-T191 WeakPolarHBondContact O-CB 3.2Å; E187-T191 PolarHBondContact O-N 2.93Å; E187-T191 PolarHBondContact O-OG1 3.36Å
192G81.8Confident70.1Confident38 Ų3890.3 Ų90.339%0.39252%0.521SS..  trans97.7154.4-170.900000111.5Y188Y188-G192 CarbonylContact O-C 3.01Å; Y188-G192 WeakPolarHBondContact O-CA 3.3Å; Y188-G192 PolarHBondContact O-N 3.38Å; Y188-G192 VanDerWaalsContact O-N 3.12Å
193F80.3Confident67.7Low69 Ų6995 Ų9530%0.30355%0.549SS..  trans-65.4125.5-179.6-60.5-79.6000110.1D170 K173 A174 L177 Y188 L189D170-F193 HydrophobicContact CB-CZ 4.15Å; K173-F193 HydrophobicContact CB-CE1 4.07Å; K173-F193 HydrophobicContact CB-CZ 4.22Å; K173-F193 HydrophobicContact CD-CD1 4.49Å; K173-F193 HydrophobicContact CD-CE1 4.11Å; K173-F193 HydrophobicContact CD-CE2 4.35Å; K173-F193 HydrophobicContact CD-CZ 4.04Å; K173-F193 HydrophobicContact CG-CD1 4.43Å; K173-F193 HydrophobicContact CG-CE1 3.94Å; K173-F193 HydrophobicContact CG-CZ 4.27Å; A174-F193 HydrophobicContact CB-CE1 3.78Å; A174-F193 HydrophobicContact CB-CZ 4.49Å; L177-F193 HydrophobicContact CD1-CB 4.32Å; L177-F193 HydrophobicContact CD1-CD1 3.45Å; L177-F193 VanDerWaalsContact CD1-CD1 3.45Å; L177-F193 HydrophobicContact CD1-CE1 4.14Å; L177-F193 HydrophobicContact CD1-CG 4.24Å; Y188-F193 PolarHBondContact O-N 2.89Å; L189-F193 HydrophobicContact CD2-CZ 4.34Å
194P65.7Low65.1Low43 Ų4394.1 Ų94.128%0.27955%0.554SS.*  trans-64.2149.4177.729.2-38.4000109.6Y188 E196Y188-P194 HydrophobicContact CD1-CG 3.78Å; Y188-P194 HydrophobicContact CE1-CB 4.29Å; Y188-P194 HydrophobicContact CE1-CG 3.27Å; Y188-P194 HydrophobicContact CE2-CG 4.28Å; Y188-P194 HydrophobicContact CG-CG 4.46Å; P194-E196 PolarHBondContact O-N 3.46Å
195P59.1Low62.5Low118 Ų11893.1 Ų93.177%0.76657%0.568SS**SBendtrans-71.214.8-176.327.9-34.3000115.4
196E45.7Very low59.8Low166 Ų166102.2 Ų102.278%0.77661%0.61SS**THydrogen-bonded Turntrans-91.8118.8-179.4-65.8-145.794.300111.5P194P194-E196 PolarHBondContact O-N 3.46Å
197E47.9Very low57.1Low185 Ų185105.3 Ų105.386%0.86464%0.64SS**THydrogen-bonded Turntrans78.823.5-171-72.6-159.596.700118.3
198S39.4Very low54.3Low81 Ų81104.2 Ų104.257%0.56666%0.655SS**  trans-115.9101150.1-60.50000108.3E200S198-E200 PolarHBondContact O-N 2.97Å
199G38.3Very low51.5Low71 Ų71107.3 Ų107.373%0.73270%0.695SS**  trans-54.8130.9158.800000108.3
200E40.4Very low48.7Very low194 Ų194109.5 Ų109.591%0.90772%0.724SS**  trans73.6105.3179.8-60159.769.600113.3S198S198-E200 PolarHBondContact O-N 2.97Å
201G36.1Very low46.5Very low71 Ų71115 Ų11573%0.73274%0.74SS**  cis10877.127.500000109.8
202T35.4Very low44.2Very low146 Ų146114.6 Ų114.690%0.89674%0.74SS**  trans-155.5100.1158.1-62.10000110
203V41.2Very low42.3Very low141 Ų141121.2 Ų121.286%0.85576%0.764SS**  trans-83.9139.3162.1-81.50000109.5S205V203-S205 PolarHBondContact O-N 3.44Å
204S35.8Very low40.3Very low119 Ų119124 Ų12483%0.83279%0.787SS**  trans-59.3123.5168.2-80.40000111.3
205S35.4Very low39.1Very low117 Ų117125.1 Ų125.182%0.81881%0.807SS**  trans-171.3137.9137.8-90.30000111.9V203V203-S205 PolarHBondContact O-N 3.44Å
206Q35.7Very low38.7Very low191 Ų191125.4 Ų125.489%0.89381%0.811SS**  trans95.4116148.6-152.8160.3-10.300118.7
207A34.3Very low39.6Very low102 Ų102121.9 Ų121.984%0.84380%0.798SS**  trans-49.9134.1171.500000113.8
208G31.9Very low40.4Very low75 Ų75115.8 Ų115.877%0.77378%0.775SS**  trans171.6104.7168.900000110.1
209G30.8Very low41.8Very low91 Ų91112.3 Ų112.394%0.93875%0.749SS**  trans-64.1137.4-177.500000113.1
210G31.4Very low43.6Very low75 Ų75111.5 Ų111.577%0.77374%0.736SS**  trans175.392.7172.700000114.2
211K44.7Very low45.3Very low205 Ų205104.9 Ų104.989%0.89172%0.715SS**  trans66.9138.7160.8-90.5169.2164.9177.80119.8I213K211-I213 PolarHBondContact O-N 2.98Å
212P36.2Very low47.1Very low108 Ų108101.7 Ų101.770%0.70168%0.681SS**  trans-75.3124.8177.332.6-30.2000109.6T214P212-T214 PolarHBondContact O-N 3.23Å; P212-T214 VanDerWaalsContact O-N 3.1Å
213I42Very low49.3Very low178 Ų178100.5 Ų100.591%0.91366%0.66SS**  trans-63.9100.3160.131.1172.1000108.2K211K211-I213 PolarHBondContact O-N 2.98Å
214T39.9Very low51.1Low126 Ų12698.2 Ų98.277%0.77365%0.65SS**  trans-8612417046.90000109.6P212P212-T214 PolarHBondContact O-N 3.23Å; P212-T214 VanDerWaalsContact O-N 3.1Å
215G39.8Very low53.3Low68 Ų6895.7 Ų95.770%0.70162%0.623SS**  trans85.9100.6150.600000115.8D217G215-D217 PolarHBondContact O-N 3.39Å
216S50.3Low55.2Low123 Ų12395.5 Ų95.586%0.8662%0.619SS**  trans-47.8107.3158.4-41.40000109.4P218S216-P218 WeakPolarHBondContact O-CD 3.3Å
217D64.8Low57.4Low92 Ų9287.6 Ų87.649%0.49259%0.589SS.*  trans-77.4104.3-177.9-144.5-64.2000108.7G215 L219 A220G215-D217 PolarHBondContact O-N 3.39Å; D217-L219 PolarHBondContact O-N 3.08Å; D217-A220 WeakPolarHBondContact O-CB 3.45Å; D217-A220 PolarHBondContact O-N 3.16Å
218P64.7Low59.5Low58 Ų5883 Ų8338%0.37755%0.55SS..THydrogen-bonded Turntrans-65.1-12.6-176.723.3-23.1000111.5S216 L259 N263S216-P218 WeakPolarHBondContact O-CD 3.3Å; P218-L259 HydrophobicContact CB-CD1 4.03Å; P218-L259 WeakPolarHBondContact O-CD2 3.49Å; P218-N263 VanDerWaalsContact CG-OD1 3.28Å; P218-N263 WeakPolarHBondContact CG-OD1 3.46Å
219L69.2Low61.9Low7 Ų782.7 Ų82.74%0.03754%0.54CS..THydrogen-bonded Turntrans-88.9-4.7177.7-67.583.7000113.6D217 A221 L222 R223 N263 A266 L270D217-L219 PolarHBondContact O-N 3.08Å; L219-A221 PolarHBondContact O-N 3.32Å; L219-L222 CarbonylContact O-C 3.59Å; L219-L222 WeakPolarHBondContact O-CA 3.42Å; L219-L222 WeakPolarHBondContact O-CB 3.45Å; L219-L222 PolarHBondContact O-N 2.9Å; L219-R223 PolarHBondContact O-N 3.37Å; L219-N263 HydrophobicContact CD1-CB 3.72Å; L219-N263 HydrophobicContact CG-CB 4.19Å; L219-A266 HydrophobicContact CD1-CB 3.5Å; L219-A266 VanDerWaalsContact CD1-CB 3.5Å; L219-A266 HydrophobicContact CD2-CB 3.3Å; L219-A266 VanDerWaalsContact CD2-O 3.3Å; L219-A266 WeakPolarHBondContact CD2-O 3.15Å; L219-A266 HydrophobicContact CG-CB 4.01Å; L219-L270 HydrophobicContact CD2-CD2 4.44Å
220A75.1Confident64.3Low55 Ų5587 Ų8746%0.45553%0.527SS..Hα-helixtrans-58.8-38.8172.500000111.5D217 L222 R223 S224D217-A220 WeakPolarHBondContact O-CB 3.45Å; D217-A220 PolarHBondContact O-N 3.16Å; A220-L222 VanDerWaalsContact C-N 3.26Å; A220-L222 PolarHBondContact O-N 2.91Å; A220-R223 PolarHBondContact O-N 3.41Å; A220-S224 PolarHBondContact O-N 3.42Å; A220-S224 PolarHBondContact O-OG 2.88Å
221A75.7Confident66.4Low55 Ų5583.8 Ų83.846%0.45549%0.493SS..Hα-helixtrans-66.7-26.4173.900000113.2L219 S224 L259L219-A221 PolarHBondContact O-N 3.32Å; A221-S224 PolarHBondContact O-OG 3.22Å; A221-L259 HydrophobicContact CB-CD2 4.38Å
222L75.6Confident68.2Low4 Ų476.8 Ų76.82%0.02146%0.461CS..Hα-helixtrans-79.4-41.1175-169.364.2000110.5L219 A220 S224 Y225 F228 L256 I260 F267L219-L222 CarbonylContact O-C 3.59Å; L219-L222 WeakPolarHBondContact O-CA 3.42Å; L219-L222 WeakPolarHBondContact O-CB 3.45Å; L219-L222 PolarHBondContact O-N 2.9Å; A220-L222 VanDerWaalsContact C-N 3.26Å; A220-L222 PolarHBondContact O-N 2.91Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 2.85Å; L222-Y225 WeakPolarHBondContact O-CB 3.33Å; L222-Y225 PolarHBondContact O-N 2.93Å; L222-Y225 VanDerWaalsContact O-N 3.16Å; L222-F228 HydrophobicContact CD1-CD2 3.95Å; L222-F228 HydrophobicContact CD2-CD2 4.05Å; L222-F228 HydrophobicContact CD2-CE2 3.94Å; L222-F228 HydrophobicContact CG-CD2 3.51Å; L222-F228 HydrophobicContact CG-CE2 3.89Å; L222-F228 HydrophobicContact CG-CG 4.23Å; L222-F228 WeakPolarHBondContact O-CB 3.18Å; L222-F228 WeakPolarHBondContact O-CG 3.32Å; L222-L256 HydrophobicContact CD1-CD2 4.2Å; L222-I260 HydrophobicContact CD1-CD1 4.24Å; L222-I260 HydrophobicContact CD1-CG1 4.25Å; L222-I260 HydrophobicContact CD2-CG1 4.06Å; L222-F267 HydrophobicContact CD2-CB 4.48Å; L222-F267 HydrophobicContact CD2-CD2 3.55Å; L222-F267 HydrophobicContact CD2-CE2 4.21Å; L222-F267 HydrophobicContact CD2-CG 4.4Å
223R80.1Confident70.5Confident120 Ų12075.7 Ų75.745%0.45345%0.449SS..Hα-helixtrans-60-38.6174.8-74.9178.7168.6167.2-6.3112.9L219 A220 Y225 L270 E273L219-R223 PolarHBondContact O-N 3.37Å; A220-R223 PolarHBondContact O-N 3.41Å; R223-Y225 VanDerWaalsContact C-N 3.27Å; R223-Y225 PolarHBondContact O-N 2.88Å; R223-L270 HydrophobicContact CG-CD1 3.79Å; R223-L270 HydrophobicContact CG-CD2 3.54Å; R223-L270 HydrophobicContact CG-CG 4.28Å; R223-E273 IonicContact CZ-OE1 2.75Å; R223-E273 IonicContact NH2-OE1 3.6Å; R223-E273 PolarHBondContact NH2-OE1 3.49Å; R223-E273 IonicContact NH2-OE2 3.43Å; R223-E273 PolarHBondContact NH2-OE2 2.81Å
224S79.4Confident72.3Confident94 Ų9468.1 Ų68.166%0.65741%0.413SS*.THydrogen-bonded Turntrans-80.2-5.3178.966.40000113.9A220 A221 L222A220-S224 PolarHBondContact O-N 3.42Å; A220-S224 PolarHBondContact O-OG 2.88Å; A221-S224 PolarHBondContact O-OG 3.22Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 2.85Å
225Y81.4Confident74.1Confident65 Ų6563.2 Ų63.226%0.25538%0.383SS..  trans-75.9127.5-178.8-170.9-108.7000110.9L222 R223 G227 F228 L249 N253 L256L222-Y225 WeakPolarHBondContact O-CB 3.33Å; L222-Y225 PolarHBondContact O-N 2.93Å; L222-Y225 VanDerWaalsContact O-N 3.16Å; R223-Y225 VanDerWaalsContact C-N 3.27Å; R223-Y225 PolarHBondContact O-N 2.88Å; Y225-G227 VanDerWaalsContact CD1-N 3.27Å; Y225-G227 PolarHBondContact O-N 2.95Å; Y225-G227 VanDerWaalsContact O-N 3.14Å; Y225-F228 WeakPolarHBondContact O-CB 3.26Å; Y225-F228 PolarHBondContact O-N 3.34Å; Y225-L249 HydrophobicContact CE1-CD1 4.1Å; Y225-N253 PolarHBondContact OH-ND2 3.46Å; Y225-L256 HydrophobicContact CD1-CD1 3.89Å; Y225-L256 HydrophobicContact CD2-CD1 3.64Å; Y225-L256 HydrophobicContact CE1-CD1 3.8Å; Y225-L256 HydrophobicContact CE2-CD1 3.54Å; Y225-L256 HydrophobicContact CG-CD1 3.83Å
226P75.4Confident76.2Confident113 Ų11363.9 Ų63.973%0.73437%0.367SS*.Hα-helixtrans-62.7-25-178.221.9-32.4000113.5F228P226-F228 VanDerWaalsContact C-N 3.35Å
227G81.9Confident77.8Confident25 Ų2565 Ų6526%0.25836%0.359SS..Hα-helixtrans-76.7-18.1171.900000114.1Y225 R230 M231Y225-G227 VanDerWaalsContact CD1-N 3.27Å; Y225-G227 PolarHBondContact O-N 2.95Å; Y225-G227 VanDerWaalsContact O-N 3.14Å; G227-R230 WeakPolarHBondContact O-CB 3.22Å; G227-R230 PolarHBondContact O-N 3.28Å; G227-M231 WeakPolarHBondContact O-CB 3.41Å; G227-M231 PolarHBondContact O-N 3.07Å
228F79.1Confident78.7Confident7 Ų764 Ų643%0.03135%0.354CS..Hα-helixtrans-71.2-37.4-177.6-175.9-99.3000112.2L222 Y225 P226 R230 M231 R232 F267 L270L222-F228 HydrophobicContact CD1-CD2 3.95Å; L222-F228 HydrophobicContact CD2-CD2 4.05Å; L222-F228 HydrophobicContact CD2-CE2 3.94Å; L222-F228 HydrophobicContact CG-CD2 3.51Å; L222-F228 HydrophobicContact CG-CE2 3.89Å; L222-F228 HydrophobicContact CG-CG 4.23Å; L222-F228 WeakPolarHBondContact O-CB 3.18Å; L222-F228 WeakPolarHBondContact O-CG 3.32Å; Y225-F228 WeakPolarHBondContact O-CB 3.26Å; Y225-F228 PolarHBondContact O-N 3.34Å; P226-F228 VanDerWaalsContact C-N 3.35Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R230 PolarHBondContact O-N 3.41Å; F228-M231 HydrophobicContact CD2-SD 4.41Å; F228-M231 PolarHBondContact O-N 2.93Å; F228-R232 HydrophobicContact CE1-CB 4.46Å; F228-R232 WeakPolarHBondContact O-CB 3.15Å; F228-R232 PolarHBondContact O-N 3.5Å; F228-F267 HydrophobicContact CD2-CE2 4.44Å; F228-F267 AromaticContact CE2-CD2 3.97Å; F228-F267 HydrophobicContact CE2-CD2 3.97Å; F228-F267 AromaticContact CE2-CE2 3.82Å; F228-F267 HydrophobicContact CE2-CE2 3.82Å; F228-L270 HydrophobicContact CD1-CD2 4.28Å; F228-L270 HydrophobicContact CE1-CD1 4.34Å; F228-L270 HydrophobicContact CE1-CD2 3.4Å; F228-L270 VanDerWaalsContact CE1-CD2 3.4Å; F228-L270 HydrophobicContact CE1-CG 3.58Å; F228-L270 HydrophobicContact CE2-CD2 3.66Å; F228-L270 HydrophobicContact CE2-CG 4.21Å; F228-L270 HydrophobicContact CZ-CB 4.08Å; F228-L270 HydrophobicContact CZ-CD1 4.42Å; F228-L270 HydrophobicContact CZ-CD2 3.08Å; F228-L270 HydrophobicContact CZ-CG 3.25Å
229A81.5Confident79.4Confident68 Ų6865.7 Ų65.756%0.56237%0.365SS*.Hα-helixtrans-61.7-40.4172.300000111.8N233A229-N233 WeakPolarHBondContact O-CB 3.3Å; A229-N233 PolarHBondContact O-N 3.35Å; A229-N233 VanDerWaalsContact O-N 3.08Å
230R81.5Confident80.1Confident180 Ų18073 Ų7368%0.67940%0.399SS*.Hα-helixtrans-65-42.4174.3-173.3178.6-173.7-169.3-2.2111.5G227 F228 N233 A234G227-R230 WeakPolarHBondContact O-CB 3.22Å; G227-R230 PolarHBondContact O-N 3.28Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R230 PolarHBondContact O-N 3.41Å; R230-N233 PolarHBondContact O-N 3.42Å; R230-A234 VanDerWaalsContact O-CB 3.23Å; R230-A234 WeakPolarHBondContact O-CB 3.4Å; R230-A234 PolarHBondContact O-N 3.03Å
231M76.7Confident80.4Confident8 Ų874 Ų744%0.03940%0.395CS..Hα-helixtrans-64.3-48177.8-178.5178.9-74.300111.9G227 F228 N233 A234 V235 L245 L249 F267G227-M231 WeakPolarHBondContact O-CB 3.41Å; G227-M231 PolarHBondContact O-N 3.07Å; F228-M231 HydrophobicContact CD2-SD 4.41Å; F228-M231 PolarHBondContact O-N 2.93Å; M231-N233 VanDerWaalsContact C-N 3.32Å; M231-N233 PolarHBondContact O-N 2.98Å; M231-A234 PolarHBondContact O-N 3.45Å; M231-V235 HydrophobicContact CG-CG2 4.31Å; M231-V235 WeakPolarHBondContact O-CB 3.31Å; M231-V235 WeakPolarHBondContact O-CG2 3.03Å; M231-V235 PolarHBondContact O-N 2.92Å; M231-L245 HydrophobicContact CB-CD2 3.91Å; M231-L245 HydrophobicContact CE-CB 4.39Å; M231-L245 HydrophobicContact CE-CD2 4.48Å; M231-L245 HydrophobicContact CG-CD2 4.07Å; M231-L249 HydrophobicContact CE-CD2 4.04Å; M231-F267 HydrophobicContact CG-CE2 4.39Å; M231-F267 HydrophobicContact CG-CZ 4.26Å; M231-F267 HydrophobicContact SD-CE2 3.31Å; M231-F267 WeakPolarHBondContact SD-CE2 3.45Å; M231-F267 HydrophobicContact SD-CZ 3.32Å; M231-F267 WeakPolarHBondContact SD-CZ 3.3Å
232R82.5Confident80.5Confident59 Ų5973.2 Ų73.222%0.22338%0.383CS..Hα-helixtrans-55.4-48.4174.8179.1-174.5-90.3179.8-10.5110.8F228 V235 Q236 L270 E273F228-R232 HydrophobicContact CE1-CB 4.46Å; F228-R232 WeakPolarHBondContact O-CB 3.15Å; F228-R232 PolarHBondContact O-N 3.5Å; R232-V235 PolarHBondContact O-N 3.5Å; R232-Q236 WeakPolarHBondContact O-CB 3.2Å; R232-Q236 VanDerWaalsContact O-CG 3.25Å; R232-Q236 WeakPolarHBondContact O-CG 3.27Å; R232-Q236 PolarHBondContact O-N 3.35Å; R232-L270 PolarHBondContact NE-O 2.83Å; R232-L270 PolarHBondContact NH2-O 3.36Å; R232-E273 PolarHBondContact NE-O 2.84Å; R232-E273 PolarHBondContact NH2-O 2.87Å; R232-E273 IonicContact NH2-OE1 2.69Å
233N82.9Confident80.7Confident84 Ų8479.3 Ų79.345%0.44941%0.411SS..Hα-helixtrans-66.6-41.2180-164.2-94.7000112.4A229 R230 M231 Q236 Q237A229-N233 WeakPolarHBondContact O-CB 3.3Å; A229-N233 PolarHBondContact O-N 3.35Å; A229-N233 VanDerWaalsContact O-N 3.08Å; R230-N233 PolarHBondContact O-N 3.42Å; M231-N233 VanDerWaalsContact C-N 3.32Å; M231-N233 PolarHBondContact O-N 2.98Å; N233-Q236 PolarHBondContact O-N 2.96Å; N233-Q237 WeakPolarHBondContact O-CG 3.35Å; N233-Q237 PolarHBondContact O-N 2.93Å; N233-Q237 PolarHBondContact OD1-NE2 3.47Å
234A80.4Confident80.9Confident19 Ų1978.2 Ų78.216%0.15741%0.414CS..Hα-helixtrans-65.8-39.6177.500000112.5R230 M231 Q237 N238 L245R230-A234 VanDerWaalsContact O-CB 3.23Å; R230-A234 WeakPolarHBondContact O-CB 3.4Å; R230-A234 PolarHBondContact O-N 3.03Å; M231-A234 PolarHBondContact O-N 3.45Å; A234-Q237 PolarHBondContact O-N 2.74Å; A234-N238 CarbonylContact O-C 3.54Å; A234-N238 PolarHBondContact O-N 2.94Å; A234-N238 VanDerWaalsContact O-O 3.09Å; A234-L245 HydrophobicContact CB-CD1 4.46Å; A234-L245 HydrophobicContact CB-CD2 4.15Å
235V78.6Confident80.8Confident23 Ų2374.7 Ų74.714%0.13939%0.388CS..Hα-helixtrans-70.6-36.61781720000111.4M231 R232 L242 M271M231-V235 HydrophobicContact CG-CG2 4.31Å; M231-V235 WeakPolarHBondContact O-CB 3.31Å; M231-V235 WeakPolarHBondContact O-CG2 3.03Å; M231-V235 PolarHBondContact O-N 2.92Å; R232-V235 PolarHBondContact O-N 3.5Å; V235-L242 HydrophobicContact CG1-CD1 4.32Å; V235-L242 HydrophobicContact CG2-CB 4.12Å; V235-L242 HydrophobicContact CG2-CD1 3.97Å; V235-L242 HydrophobicContact CG2-CG 4.11Å; V235-M271 HydrophobicContact CB-SD 4.13Å; V235-M271 HydrophobicContact CG1-CB 4.26Å; V235-M271 HydrophobicContact CG1-CG 4.43Å; V235-M271 HydrophobicContact CG1-SD 3.78Å; V235-M271 HydrophobicContact CG2-SD 3.75Å
236Q83Confident80.8Confident82 Ų8273.5 Ų73.538%0.38339%0.386SS..Hα-helixtrans-65.9-37.8172.7-75.3174.30.200112.3R232 N233R232-Q236 WeakPolarHBondContact O-CB 3.2Å; R232-Q236 VanDerWaalsContact O-CG 3.25Å; R232-Q236 WeakPolarHBondContact O-CG 3.27Å; R232-Q236 PolarHBondContact O-N 3.35Å; N233-Q236 PolarHBondContact O-N 2.96Å
237Q85.1Confident81.2Confident147 Ų14771.4 Ų71.469%0.68737%0.374SS*.Hα-helixtrans-77-42.6177.1-72.4-174.526.300112.9N233 A234N233-Q237 WeakPolarHBondContact O-CG 3.35Å; N233-Q237 PolarHBondContact O-N 2.93Å; N233-Q237 PolarHBondContact OD1-NE2 3.47Å; A234-Q237 PolarHBondContact O-N 2.74Å
238N83.2Confident81.4Confident70 Ų7075.6 Ų75.637%0.37439%0.387SS..  trans-151.5105.4-173.1-156.656.8000111.9A234 E240 M241A234-N238 CarbonylContact O-C 3.54Å; A234-N238 PolarHBondContact O-N 2.94Å; A234-N238 VanDerWaalsContact O-O 3.09Å; N238-E240 PolarHBondContact O-N 3.34Å; N238-E240 VanDerWaalsContact O-N 3.15Å; N238-M241 HydrophobicContact CB-CG 3.85Å; N238-M241 WeakPolarHBondContact O-CB 3.4Å; N238-M241 PolarHBondContact O-N 3.12Å; N238-M241 VanDerWaalsContact O-N 3.09Å
239P79Confident81.3Confident95 Ų9575.8 Ų75.862%0.61739%0.388SS*.THydrogen-bonded Turntrans-66-19.9-175.525.9-34.3000113.7M241 L242P239-M241 VanDerWaalsContact C-N 3.33Å; P239-L242 WeakPolarHBondContact O-CB 3.45Å
240E83.5Confident81.4Confident160 Ų16077.6 Ų77.675%0.74839%0.385SS*.THydrogen-bonded Turntrans-74.9-20176.1-65.9-166.4100.800113.4N238 L242N238-E240 PolarHBondContact O-N 3.34Å; N238-E240 VanDerWaalsContact O-N 3.15Å; E240-L242 PolarHBondContact O-N 2.76Å
241M82Confident81.7Confident76 Ų7677.5 Ų77.537%0.37439%0.392SS..Hα-helixtrans-68.2-18.8176.4-69.2-67.6-65.400112.2N238 P239 Q243 D244 L245N238-M241 HydrophobicContact CB-CG 3.85Å; N238-M241 WeakPolarHBondContact O-CB 3.4Å; N238-M241 PolarHBondContact O-N 3.12Å; N238-M241 VanDerWaalsContact O-N 3.09Å; P239-M241 VanDerWaalsContact C-N 3.33Å; M241-Q243 PolarHBondContact O-N 3.06Å; M241-D244 PolarHBondContact O-N 3.42Å; M241-D244 VanDerWaalsContact O-N 3.16Å; M241-L245 HydrophobicContact CB-CD1 3.99Å; M241-L245 HydrophobicContact CE-CD1 4Å; M241-L245 WeakPolarHBondContact O-CD1 3.44Å; M241-L245 PolarHBondContact O-N 3.4Å
242L76.8Confident82.1Confident38 Ų3880 Ų8020%0.19941%0.414CS..Hα-helixtrans-57.4-38.8-179.3-164.8158.2000111.2V235 P239 E240 L245 I246 F267 M271V235-L242 HydrophobicContact CG1-CD1 4.32Å; V235-L242 HydrophobicContact CG2-CB 4.12Å; V235-L242 HydrophobicContact CG2-CD1 3.97Å; V235-L242 HydrophobicContact CG2-CG 4.11Å; P239-L242 WeakPolarHBondContact O-CB 3.45Å; E240-L242 PolarHBondContact O-N 2.76Å; L242-L245 PolarHBondContact O-N 3.29Å; L242-I246 HydrophobicContact CD2-CD1 3.28Å; L242-I246 HydrophobicContact CD2-CG1 3.84Å; L242-I246 WeakPolarHBondContact O-CB 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.13Å; L242-F267 HydrophobicContact CD1-CE1 4.43Å; L242-M271 HydrophobicContact CD1-CE 3.83Å; L242-M271 HydrophobicContact CD1-SD 3.77Å
243Q81.4Confident82Confident132 Ų13279.8 Ų79.862%0.61742%0.418SS*.Hα-helixtrans-67.9-40.9179.3-63.1-68.468.100112.1M241 I246 S247M241-Q243 PolarHBondContact O-N 3.06Å; Q243-I246 PolarHBondContact O-N 3.09Å; Q243-S247 PolarHBondContact O-N 3.23Å; Q243-S247 VanDerWaalsContact O-N 3.08Å; Q243-S247 PolarHBondContact O-OG 2.97Å
244D82.9Confident82.2Confident97 Ų9780 Ų8052%0.51942%0.424SS..Hα-helixtrans-65.4-43.9176.3-171.4-105.4000110.9M241 S247 E248M241-D244 PolarHBondContact O-N 3.42Å; M241-D244 VanDerWaalsContact O-N 3.16Å; D244-S247 PolarHBondContact O-N 3.47Å; D244-E248 PolarHBondContact O-N 3.34Å
245L78.2Confident82.4Confident21 Ų2183.5 Ų83.511%0.1145%0.447CS..Hα-helixtrans-69-33.3176.7-87.880.4000112.9M231 A234 M241 L242 E248 L249M231-L245 HydrophobicContact CB-CD2 3.91Å; M231-L245 HydrophobicContact CE-CB 4.39Å; M231-L245 HydrophobicContact CE-CD2 4.48Å; M231-L245 HydrophobicContact CG-CD2 4.07Å; A234-L245 HydrophobicContact CB-CD1 4.46Å; A234-L245 HydrophobicContact CB-CD2 4.15Å; M241-L245 HydrophobicContact CB-CD1 3.99Å; M241-L245 HydrophobicContact CE-CD1 4Å; M241-L245 WeakPolarHBondContact O-CD1 3.44Å; M241-L245 PolarHBondContact O-N 3.4Å; L242-L245 PolarHBondContact O-N 3.29Å; L245-E248 PolarHBondContact O-N 3.16Å; L245-L249 WeakPolarHBondContact O-CB 3.22Å; L245-L249 PolarHBondContact O-N 3.34Å
246I80.8Confident82.4Confident40 Ų4083.3 Ų83.321%0.20545%0.445CS..Hα-helixtrans-63.3-47172.2-79.9-179.5000109.4L242 Q243 E248 L249 E250 I257L242-I246 HydrophobicContact CD2-CD1 3.28Å; L242-I246 HydrophobicContact CD2-CG1 3.84Å; L242-I246 WeakPolarHBondContact O-CB 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.13Å; Q243-I246 PolarHBondContact O-N 3.09Å; I246-E248 VanDerWaalsContact C-N 3.33Å; I246-E248 PolarHBondContact O-N 3.34Å; I246-L249 CarbonylContact O-C 3.55Å; I246-L249 PolarHBondContact O-N 3.48Å; I246-L249 VanDerWaalsContact O-N 3.17Å; I246-E250 HydrophobicContact CG2-CG 4.36Å; I246-E250 WeakPolarHBondContact O-CB 3.42Å; I246-E250 WeakPolarHBondContact O-CG 3.39Å; I246-E250 PolarHBondContact O-N 3.33Å; I246-I257 HydrophobicContact CG2-CD1 4.12Å
247S85Confident82.5Confident69 Ų6980.2 Ų80.248%0.48343%0.431SS..Hα-helixtrans-62.9-39177.5-680000112.4Q243 D244 E250 Q251Q243-S247 PolarHBondContact O-N 3.23Å; Q243-S247 VanDerWaalsContact O-N 3.08Å; Q243-S247 PolarHBondContact O-OG 2.97Å; D244-S247 PolarHBondContact O-N 3.47Å; S247-E250 PolarHBondContact O-N 3.38Å; S247-Q251 PolarHBondContact O-N 2.86Å
248E85.1Confident82.6Confident112 Ų11276.2 Ų76.252%0.52342%0.423SS..Hα-helixtrans-67.1-38.3173.8-174.5152.784.500111.7D244 L245 I246 Q251 A252D244-E248 PolarHBondContact O-N 3.34Å; L245-E248 PolarHBondContact O-N 3.16Å; I246-E248 VanDerWaalsContact C-N 3.33Å; I246-E248 PolarHBondContact O-N 3.34Å; E248-Q251 PolarHBondContact O-N 3.39Å; E248-A252 VanDerWaalsContact O-CB 3.27Å; E248-A252 WeakPolarHBondContact O-CB 3.14Å; E248-A252 PolarHBondContact O-N 2.78Å
249L78.2Confident82.6Confident12 Ų1274.9 Ų74.96%0.06342%0.415CS..Hα-helixtrans-72-31.8176.9-166.177.2000112.5Y225 M231 L245 I246 Q251 A252 N253 L256 I257 I260Y225-L249 HydrophobicContact CE1-CD1 4.1Å; M231-L249 HydrophobicContact CE-CD2 4.04Å; L245-L249 WeakPolarHBondContact O-CB 3.22Å; L245-L249 PolarHBondContact O-N 3.34Å; I246-L249 CarbonylContact O-C 3.55Å; I246-L249 PolarHBondContact O-N 3.48Å; I246-L249 VanDerWaalsContact O-N 3.17Å; L249-Q251 VanDerWaalsContact C-N 3.28Å; L249-Q251 PolarHBondContact O-N 3.44Å; L249-A252 PolarHBondContact O-N 2.89Å; L249-N253 HydrophobicContact CD1-CB 4.32Å; L249-N253 CarbonylContact O-C 3.59Å; L249-N253 WeakPolarHBondContact O-CA 3.29Å; L249-N253 PolarHBondContact O-N 2.85Å; L249-L256 HydrophobicContact CD1-CB 4.42Å; L249-L256 HydrophobicContact CD1-CD1 3.92Å; L249-L256 HydrophobicContact CD2-CB 3.99Å; L249-L256 HydrophobicContact CG-CB 4.3Å; L249-I257 HydrophobicContact CB-CD1 4.1Å; L249-I257 HydrophobicContact CB-CG1 4.43Å; L249-I257 HydrophobicContact CD2-CD1 3.85Å; L249-I257 HydrophobicContact CD2-CG1 4.2Å; L249-I257 HydrophobicContact CG-CD1 4.19Å; L249-I257 HydrophobicContact CG-CG1 4.24Å; L249-I260 HydrophobicContact CD2-CD1 3.23Å
250E83.2Confident82.8Confident106 Ų10670.7 Ų70.750%0.49539%0.388SS..Hα-helixtrans-60.4-39.8169.9-77.6-176109.100111.5I246 S247 I257I246-E250 HydrophobicContact CG2-CG 4.36Å; I246-E250 WeakPolarHBondContact O-CB 3.42Å; I246-E250 WeakPolarHBondContact O-CG 3.39Å; I246-E250 PolarHBondContact O-N 3.33Å; S247-E250 PolarHBondContact O-N 3.38Å; E250-I257 HydrophobicContact CB-CG1 4.32Å; E250-I257 HydrophobicContact CG-CB 4.39Å; E250-I257 HydrophobicContact CG-CD1 3.65Å; E250-I257 HydrophobicContact CG-CG1 3.62Å; E250-I257 HydrophobicContact CG-CG2 4.09Å
251Q87.6Confident82.9Confident177 Ų17767.6 Ų67.683%0.82738%0.376SS*.Hα-helixtrans-78-35.8178.8-163.3169.68.600112.7S247 E248 L249S247-Q251 PolarHBondContact O-N 2.86Å; E248-Q251 PolarHBondContact O-N 3.39Å; L249-Q251 VanDerWaalsContact C-N 3.28Å; L249-Q251 PolarHBondContact O-N 3.44Å
252A84.2Confident83.2Confident61 Ų6167.7 Ų67.750%0.50439%0.389SS..Hα-helixtrans-85.9-36.6-176.600000113.6E248 L249E248-A252 VanDerWaalsContact O-CB 3.27Å; E248-A252 WeakPolarHBondContact O-CB 3.14Å; E248-A252 PolarHBondContact O-N 2.78Å; L249-A252 PolarHBondContact O-N 2.89Å
253N81.6Confident83.7Confident55 Ų5567.6 Ų67.629%0.29439%0.389SS..  trans-153.285.6-171.8-95.8-53.5000113.4Y225 L249 S255 L256 I257Y225-N253 PolarHBondContact OH-ND2 3.46Å; L249-N253 HydrophobicContact CD1-CB 4.32Å; L249-N253 CarbonylContact O-C 3.59Å; L249-N253 WeakPolarHBondContact O-CA 3.29Å; L249-N253 PolarHBondContact O-N 2.85Å; N253-S255 VanDerWaalsContact C-N 3.25Å; N253-S255 PolarHBondContact O-N 3.21Å; N253-L256 HydrophobicContact CB-CB 4.13Å; N253-L256 HydrophobicContact CB-CD1 3.68Å; N253-L256 HydrophobicContact CB-CG 4Å; N253-L256 PolarHBondContact O-N 2.94Å; N253-L256 VanDerWaalsContact O-N 3.13Å; N253-I257 PolarHBondContact O-N 3.25Å
254P85.4Confident83.8Confident89 Ų8966.8 Ų66.858%0.57839%0.385SS*.Hα-helixtrans-64.1-27.6179.825.5-34.8000113.4L256 I257 A258P254-L256 VanDerWaalsContact C-N 3.35Å; P254-I257 PolarHBondContact O-N 3.22Å; P254-A258 PolarHBondContact O-N 3.08Å; P254-A258 VanDerWaalsContact O-N 3.09Å
255S85.5Confident83.7Confident92 Ų9269.9 Ų69.964%0.64340%0.397SS*.Hα-helixtrans-68-33.6176.4-57.70000112.8N253 A258 L259N253-S255 VanDerWaalsContact C-N 3.25Å; N253-S255 PolarHBondContact O-N 3.21Å; S255-A258 PolarHBondContact O-N 3.39Å; S255-L259 PolarHBondContact O-N 2.93Å; S255-L259 VanDerWaalsContact O-N 3.13Å
256L79.5Confident83.8Confident18 Ų1870.7 Ų70.79%0.09441%0.406CS..Hα-helixtrans-71-35175.1-70.5174.5000110.9L222 Y225 L249 N253 P254 L259 I260L222-L256 HydrophobicContact CD1-CD2 4.2Å; Y225-L256 HydrophobicContact CD1-CD1 3.89Å; Y225-L256 HydrophobicContact CD2-CD1 3.64Å; Y225-L256 HydrophobicContact CE1-CD1 3.8Å; Y225-L256 HydrophobicContact CE2-CD1 3.54Å; Y225-L256 HydrophobicContact CG-CD1 3.83Å; L249-L256 HydrophobicContact CD1-CB 4.42Å; L249-L256 HydrophobicContact CD1-CD1 3.92Å; L249-L256 HydrophobicContact CD2-CB 3.99Å; L249-L256 HydrophobicContact CG-CB 4.3Å; N253-L256 HydrophobicContact CB-CB 4.13Å; N253-L256 HydrophobicContact CB-CD1 3.68Å; N253-L256 HydrophobicContact CB-CG 4Å; N253-L256 PolarHBondContact O-N 2.94Å; N253-L256 VanDerWaalsContact O-N 3.13Å; P254-L256 VanDerWaalsContact C-N 3.35Å; L256-L259 HydrophobicContact CD2-CD2 4.4Å; L256-L259 CarbonylContact O-C 3.58Å; L256-L259 WeakPolarHBondContact O-CB 3.27Å; L256-L259 PolarHBondContact O-N 3.44Å; L256-I260 WeakPolarHBondContact O-CB 3.43Å; L256-I260 WeakPolarHBondContact O-CD1 3.21Å; L256-I260 VanDerWaalsContact O-CG1 3.22Å; L256-I260 WeakPolarHBondContact O-CG1 3.44Å; L256-I260 PolarHBondContact O-N 2.74Å
257I83.5Confident83.8Confident18 Ų1869.2 Ų69.29%0.09240%0.398CS..Hα-helixtrans-66.1-40174.8-69.4-72.3000111.9I246 L249 E250 N253 P254 L259 I260 N261I246-I257 HydrophobicContact CG2-CD1 4.12Å; L249-I257 HydrophobicContact CB-CD1 4.1Å; L249-I257 HydrophobicContact CB-CG1 4.43Å; L249-I257 HydrophobicContact CD2-CD1 3.85Å; L249-I257 HydrophobicContact CD2-CG1 4.2Å; L249-I257 HydrophobicContact CG-CD1 4.19Å; L249-I257 HydrophobicContact CG-CG1 4.24Å; E250-I257 HydrophobicContact CB-CG1 4.32Å; E250-I257 HydrophobicContact CG-CB 4.39Å; E250-I257 HydrophobicContact CG-CD1 3.65Å; E250-I257 HydrophobicContact CG-CG1 3.62Å; E250-I257 HydrophobicContact CG-CG2 4.09Å; N253-I257 PolarHBondContact O-N 3.25Å; P254-I257 PolarHBondContact O-N 3.22Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 2.87Å; I257-I260 PolarHBondContact O-N 3.07Å; I257-N261 WeakPolarHBondContact CG2-ND2 3.27Å; I257-N261 VanDerWaalsContact O-CB 3.32Å; I257-N261 WeakPolarHBondContact O-CB 3.37Å; I257-N261 PolarHBondContact O-N 3.45Å; I257-N261 PolarHBondContact O-ND2 2.85Å
258A87.4Confident83.5Confident63 Ų6369 Ų6952%0.52139%0.393SS..Hα-helixtrans-60.9-40.7172.800000111.2P254 S255 A262P254-A258 PolarHBondContact O-N 3.08Å; P254-A258 VanDerWaalsContact O-N 3.09Å; S255-A258 PolarHBondContact O-N 3.39Å; A258-A262 VanDerWaalsContact O-CB 3.25Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 3.35Å
259L84Confident83.3Confident41 Ų4168.7 Ų68.722%0.21540%0.396CS..Hα-helixtrans-68.2-42.1177.7-167.270.5000112.3P218 A221 S255 L256 I257 A262 N263P218-L259 HydrophobicContact CB-CD1 4.03Å; P218-L259 WeakPolarHBondContact O-CD2 3.49Å; A221-L259 HydrophobicContact CB-CD2 4.38Å; S255-L259 PolarHBondContact O-N 2.93Å; S255-L259 VanDerWaalsContact O-N 3.13Å; L256-L259 HydrophobicContact CD2-CD2 4.4Å; L256-L259 CarbonylContact O-C 3.58Å; L256-L259 WeakPolarHBondContact O-CB 3.27Å; L256-L259 PolarHBondContact O-N 3.44Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 2.87Å; L259-A262 PolarHBondContact O-N 2.99Å; L259-N263 VanDerWaalsContact O-CB 3.27Å; L259-N263 WeakPolarHBondContact O-CB 3.25Å; L259-N263 PolarHBondContact O-N 3.2Å; L259-N263 PolarHBondContact O-ND2 2.61Å
260I82.5Confident83.3Confident8 Ų868.3 Ų68.34%0.04139%0.394CS..Hα-helixtrans-65.5-44.1176-70162.4000110.1L222 L249 L256 I257 A262 N263 Q264 F267L222-I260 HydrophobicContact CD1-CD1 4.24Å; L222-I260 HydrophobicContact CD1-CG1 4.25Å; L222-I260 HydrophobicContact CD2-CG1 4.06Å; L249-I260 HydrophobicContact CD2-CD1 3.23Å; L256-I260 WeakPolarHBondContact O-CB 3.43Å; L256-I260 WeakPolarHBondContact O-CD1 3.21Å; L256-I260 VanDerWaalsContact O-CG1 3.22Å; L256-I260 WeakPolarHBondContact O-CG1 3.44Å; L256-I260 PolarHBondContact O-N 2.74Å; I257-I260 PolarHBondContact O-N 3.07Å; I260-A262 VanDerWaalsContact C-N 3.33Å; I260-A262 PolarHBondContact O-N 2.92Å; I260-N263 CarbonylContact O-C 3.19Å; I260-N263 PolarHBondContact O-N 2.92Å; I260-N263 VanDerWaalsContact O-N 3.08Å; I260-Q264 VanDerWaalsContact O-CA 3.29Å; I260-Q264 WeakPolarHBondContact O-CA 3.37Å; I260-Q264 WeakPolarHBondContact O-CG 3.22Å; I260-Q264 PolarHBondContact O-N 3.33Å; I260-F267 HydrophobicContact CG2-CD1 3.9Å; I260-F267 HydrophobicContact CG2-CE1 4.23Å; I260-F267 HydrophobicContact CG2-CG 4.19Å
261N86.5Confident83Confident95 Ų9563.7 Ų63.751%0.50837%0.372SS..Hα-helixtrans-62.7-40.2175.7-87.3-82.1000112.1I257 N263I257-N261 WeakPolarHBondContact CG2-ND2 3.27Å; I257-N261 VanDerWaalsContact O-CB 3.32Å; I257-N261 WeakPolarHBondContact O-CB 3.37Å; I257-N261 PolarHBondContact O-N 3.45Å; I257-N261 PolarHBondContact O-ND2 2.85Å; N261-N263 PolarHBondContact O-N 2.88Å
262A88.4Confident82.3Confident78 Ų7861.1 Ų61.165%0.64536%0.364SS*.Hα-helixtrans-67.8-24.9174.500000112.7A258 L259 I260A258-A262 VanDerWaalsContact O-CB 3.25Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 3.35Å; L259-A262 PolarHBondContact O-N 2.99Å; I260-A262 VanDerWaalsContact C-N 3.33Å; I260-A262 PolarHBondContact O-N 2.92Å
263N86.8Confident81.7Confident35 Ų3561.9 Ų61.919%0.18736%0.357CS..THydrogen-bonded Turntrans-131.339.1-171.2-60.7-77.3000113.7P218 L219 L259 I260 N261 Q265 A266 F267P218-N263 VanDerWaalsContact CG-OD1 3.28Å; P218-N263 WeakPolarHBondContact CG-OD1 3.46Å; L219-N263 HydrophobicContact CD1-CB 3.72Å; L219-N263 HydrophobicContact CG-CB 4.19Å; L259-N263 VanDerWaalsContact O-CB 3.27Å; L259-N263 WeakPolarHBondContact O-CB 3.25Å; L259-N263 PolarHBondContact O-N 3.2Å; L259-N263 PolarHBondContact O-ND2 2.61Å; I260-N263 CarbonylContact O-C 3.19Å; I260-N263 PolarHBondContact O-N 2.92Å; I260-N263 VanDerWaalsContact O-N 3.08Å; N261-N263 PolarHBondContact O-N 2.88Å; N263-Q265 VanDerWaalsContact C-N 3.31Å; N263-Q265 PolarHBondContact O-N 3.05Å; N263-A266 PolarHBondContact O-N 3.03Å; N263-F267 WeakPolarHBondContact O-CB 3.44Å; N263-F267 PolarHBondContact O-N 3.13Å
264Q83.6Confident80.6Confident115 Ų11564 Ų6454%0.53737%0.366SS..Hα-helixtrans-58.4-40.5-172.8-71-176.175.700113.2I260 F267 V268I260-Q264 VanDerWaalsContact O-CA 3.29Å; I260-Q264 WeakPolarHBondContact O-CA 3.37Å; I260-Q264 WeakPolarHBondContact O-CG 3.22Å; I260-Q264 PolarHBondContact O-N 3.33Å; Q264-F267 PolarHBondContact O-N 3.04Å; Q264-V268 VanDerWaalsContact O-CG2 3.3Å; Q264-V268 WeakPolarHBondContact O-CG2 3.39Å; Q264-V268 PolarHBondContact O-N 2.63Å
265Q81.3Confident79.3Confident163 Ų16365.2 Ų65.276%0.76237%0.373SS*.Hα-helixtrans-65.9-44.3-179.6-70.6-64.8-23.800112N263 F267 V268 D269N263-Q265 VanDerWaalsContact C-N 3.31Å; N263-Q265 PolarHBondContact O-N 3.05Å; Q265-F267 VanDerWaalsContact C-N 3.29Å; Q265-F267 PolarHBondContact O-N 2.89Å; Q265-V268 PolarHBondContact O-N 3.15Å; Q265-D269 WeakPolarHBondContact O-CB 3.38Å; Q265-D269 PolarHBondContact O-N 3.44Å
266A78.6Confident77.2Confident37 Ų3767.3 Ų67.331%0.30637%0.373SS..Hα-helixtrans-71.2-28.9179.100000111.5L219 N263 L270L219-A266 HydrophobicContact CD1-CB 3.5Å; L219-A266 VanDerWaalsContact CD1-CB 3.5Å; L219-A266 HydrophobicContact CD2-CB 3.3Å; L219-A266 VanDerWaalsContact CD2-O 3.3Å; L219-A266 WeakPolarHBondContact CD2-O 3.15Å; L219-A266 HydrophobicContact CG-CB 4.01Å; N263-A266 PolarHBondContact O-N 3.03Å; A266-L270 WeakPolarHBondContact O-CB 3.11Å; A266-L270 PolarHBondContact O-N 3.06Å
267F81Confident75.3Confident9 Ų974 Ų744%0.03941%0.409CS..Hα-helixtrans-66.5-42.8170.4171.9-116.3000111.6L222 F228 M231 L242 I260 N263 Q264 Q265 L270 M271L222-F267 HydrophobicContact CD2-CB 4.48Å; L222-F267 HydrophobicContact CD2-CD2 3.55Å; L222-F267 HydrophobicContact CD2-CE2 4.21Å; L222-F267 HydrophobicContact CD2-CG 4.4Å; F228-F267 HydrophobicContact CD2-CE2 4.44Å; F228-F267 AromaticContact CE2-CD2 3.97Å; F228-F267 HydrophobicContact CE2-CD2 3.97Å; F228-F267 AromaticContact CE2-CE2 3.82Å; F228-F267 HydrophobicContact CE2-CE2 3.82Å; M231-F267 HydrophobicContact CG-CE2 4.39Å; M231-F267 HydrophobicContact CG-CZ 4.26Å; M231-F267 HydrophobicContact SD-CE2 3.31Å; M231-F267 WeakPolarHBondContact SD-CE2 3.45Å; M231-F267 HydrophobicContact SD-CZ 3.32Å; M231-F267 WeakPolarHBondContact SD-CZ 3.3Å; L242-F267 HydrophobicContact CD1-CE1 4.43Å; I260-F267 HydrophobicContact CG2-CD1 3.9Å; I260-F267 HydrophobicContact CG2-CE1 4.23Å; I260-F267 HydrophobicContact CG2-CG 4.19Å; N263-F267 WeakPolarHBondContact O-CB 3.44Å; N263-F267 PolarHBondContact O-N 3.13Å; Q264-F267 PolarHBondContact O-N 3.04Å; Q265-F267 VanDerWaalsContact C-N 3.29Å; Q265-F267 PolarHBondContact O-N 2.89Å; F267-L270 PolarHBondContact O-N 3.49Å; F267-M271 HydrophobicContact CD1-CE 3.39Å; F267-M271 HydrophobicContact CD1-SD 4.07Å; F267-M271 HydrophobicContact CD2-CE 4.39Å; F267-M271 HydrophobicContact CD2-CG 4.23Å; F267-M271 HydrophobicContact CD2-SD 4.3Å; F267-M271 HydrophobicContact CE1-CE 3.21Å; F267-M271 HydrophobicContact CE1-CG 4.5Å; F267-M271 HydrophobicContact CE1-SD 3.4Å; F267-M271 WeakPolarHBondContact CE1-SD 3.43Å; F267-M271 HydrophobicContact CE2-CE 4.26Å; F267-M271 HydrophobicContact CE2-CG 3.9Å; F267-M271 HydrophobicContact CE2-SD 3.68Å; F267-M271 HydrophobicContact CG-CE 4.02Å; F267-M271 HydrophobicContact CG-SD 4.49Å; F267-M271 HydrophobicContact CZ-CE 3.7Å; F267-M271 HydrophobicContact CZ-CG 4.05Å; F267-M271 HydrophobicContact CZ-SD 3.18Å; F267-M271 WeakPolarHBondContact CZ-SD 3.45Å; F267-M271 VanDerWaalsContact O-CG 3.29Å; F267-M271 WeakPolarHBondContact O-CG 3.25Å; F267-M271 PolarHBondContact O-N 3.41Å
268V80.1Confident73.5Confident64 Ų6483 Ų8339%0.38845%0.45SS..Hα-helixtrans-63.7-41.2174.8171.50000111.7Q264 Q265 M271 N272Q264-V268 VanDerWaalsContact O-CG2 3.3Å; Q264-V268 WeakPolarHBondContact O-CG2 3.39Å; Q264-V268 PolarHBondContact O-N 2.63Å; Q265-V268 PolarHBondContact O-N 3.15Å; V268-M271 HydrophobicContact CB-CE 4.36Å; V268-M271 HydrophobicContact CG2-CE 3.95Å; V268-M271 PolarHBondContact O-N 3.05Å; V268-N272 PolarHBondContact O-N 3.38Å; V268-N272 VanDerWaalsContact O-N 3.13Å; V268-N272 PolarHBondContact O-ND2 2.75Å
269D81.3Confident71.3Confident107 Ų10789.1 Ų89.157%0.57247%0.468SS*.Hα-helixtrans-60.1-49173.8-164.8-109.5000110.6Q265 M271 N272 E273Q265-D269 WeakPolarHBondContact O-CB 3.38Å; Q265-D269 PolarHBondContact O-N 3.44Å; D269-M271 VanDerWaalsContact C-N 3.33Å; D269-M271 PolarHBondContact O-N 3.2Å; D269-N272 CarbonylContact O-C 3.2Å; D269-N272 PolarHBondContact O-N 3.31Å; D269-N272 VanDerWaalsContact O-N 3.14Å; D269-E273 WeakPolarHBondContact O-CB 3.32Å; D269-E273 PolarHBondContact O-N 2.88Å
270L77.2Confident69.1Low3 Ų391.8 Ų91.82%0.01650%0.497CS..Hα-helixtrans-65.7-29.4-179.5-170.562.5000114.9L219 R223 F228 R232 A266 F267 E273L219-L270 HydrophobicContact CD2-CD2 4.44Å; R223-L270 HydrophobicContact CG-CD1 3.79Å; R223-L270 HydrophobicContact CG-CD2 3.54Å; R223-L270 HydrophobicContact CG-CG 4.28Å; F228-L270 HydrophobicContact CD1-CD2 4.28Å; F228-L270 HydrophobicContact CE1-CD1 4.34Å; F228-L270 HydrophobicContact CE1-CD2 3.4Å; F228-L270 VanDerWaalsContact CE1-CD2 3.4Å; F228-L270 HydrophobicContact CE1-CG 3.58Å; F228-L270 HydrophobicContact CE2-CD2 3.66Å; F228-L270 HydrophobicContact CE2-CG 4.21Å; F228-L270 HydrophobicContact CZ-CB 4.08Å; F228-L270 HydrophobicContact CZ-CD1 4.42Å; F228-L270 HydrophobicContact CZ-CD2 3.08Å; F228-L270 HydrophobicContact CZ-CG 3.25Å; R232-L270 PolarHBondContact NE-O 2.83Å; R232-L270 PolarHBondContact NH2-O 3.36Å; A266-L270 WeakPolarHBondContact O-CB 3.11Å; A266-L270 PolarHBondContact O-N 3.06Å; F267-L270 PolarHBondContact O-N 3.49Å; L270-E273 VanDerWaalsContact CD1-OE1 3.27Å; L270-E273 WeakPolarHBondContact CD1-OE1 3.28Å
271M76.2Confident67Low9 Ų995.4 Ų95.44%0.04454%0.535CS..Hα-helixtrans-74.8-35.7174.2-75-174.7-61.800112.3V235 L242 F267 V268 D269 E273V235-M271 HydrophobicContact CB-SD 4.13Å; V235-M271 HydrophobicContact CG1-CB 4.26Å; V235-M271 HydrophobicContact CG1-CG 4.43Å; V235-M271 HydrophobicContact CG1-SD 3.78Å; V235-M271 HydrophobicContact CG2-SD 3.75Å; L242-M271 HydrophobicContact CD1-CE 3.83Å; L242-M271 HydrophobicContact CD1-SD 3.77Å; F267-M271 HydrophobicContact CD1-CE 3.39Å; F267-M271 HydrophobicContact CD1-SD 4.07Å; F267-M271 HydrophobicContact CD2-CE 4.39Å; F267-M271 HydrophobicContact CD2-CG 4.23Å; F267-M271 HydrophobicContact CD2-SD 4.3Å; F267-M271 HydrophobicContact CE1-CE 3.21Å; F267-M271 HydrophobicContact CE1-CG 4.5Å; F267-M271 HydrophobicContact CE1-SD 3.4Å; F267-M271 WeakPolarHBondContact CE1-SD 3.43Å; F267-M271 HydrophobicContact CE2-CE 4.26Å; F267-M271 HydrophobicContact CE2-CG 3.9Å; F267-M271 HydrophobicContact CE2-SD 3.68Å; F267-M271 HydrophobicContact CG-CE 4.02Å; F267-M271 HydrophobicContact CG-SD 4.49Å; F267-M271 HydrophobicContact CZ-CE 3.7Å; F267-M271 HydrophobicContact CZ-CG 4.05Å; F267-M271 HydrophobicContact CZ-SD 3.18Å; F267-M271 WeakPolarHBondContact CZ-SD 3.45Å; F267-M271 VanDerWaalsContact O-CG 3.29Å; F267-M271 WeakPolarHBondContact O-CG 3.25Å; F267-M271 PolarHBondContact O-N 3.41Å; V268-M271 HydrophobicContact CB-CE 4.36Å; V268-M271 HydrophobicContact CG2-CE 3.95Å; V268-M271 PolarHBondContact O-N 3.05Å; D269-M271 VanDerWaalsContact C-N 3.33Å; D269-M271 PolarHBondContact O-N 3.2Å; M271-E273 VanDerWaalsContact C-N 3.35Å
272N74.4Confident65.1Low124 Ų12495.5 Ų95.566%0.66355%0.549SS*.Hα-helixtrans-81.9-15.3174.7-75.5-43.8000112.9V268 D269 Q274V268-N272 PolarHBondContact O-N 3.38Å; V268-N272 VanDerWaalsContact O-N 3.13Å; V268-N272 PolarHBondContact O-ND2 2.75Å; D269-N272 CarbonylContact O-C 3.2Å; D269-N272 PolarHBondContact O-N 3.31Å; D269-N272 VanDerWaalsContact O-N 3.14Å; N272-Q274 PolarHBondContact O-N 3.42Å
273E70.3Confident62.7Low76 Ų7697 Ų9736%0.35555%0.553SS.*  trans-66.991172.7-161.3173.975.700109.3R223 R232 D269 L270 M271R223-E273 IonicContact CZ-OE1 2.75Å; R223-E273 IonicContact NH2-OE1 3.6Å; R223-E273 PolarHBondContact NH2-OE1 3.49Å; R223-E273 IonicContact NH2-OE2 3.43Å; R223-E273 PolarHBondContact NH2-OE2 2.81Å; R232-E273 PolarHBondContact NE-O 2.84Å; R232-E273 PolarHBondContact NH2-O 2.87Å; R232-E273 IonicContact NH2-OE1 2.69Å; D269-E273 WeakPolarHBondContact O-CB 3.32Å; D269-E273 PolarHBondContact O-N 2.88Å; L270-E273 VanDerWaalsContact CD1-OE1 3.27Å; L270-E273 WeakPolarHBondContact CD1-OE1 3.28Å; M271-E273 VanDerWaalsContact C-N 3.35Å
274Q59.8Low60.9Low101 Ų101102.6 Ų102.647%0.47258%0.581SS.*  trans-65.4146.4162-63.8-121.6-108.800108.4N272 E276N272-Q274 PolarHBondContact O-N 3.42Å; Q274-E276 HydrophobicContact CB-CB 4.33Å; Q274-E276 HydrophobicContact CB-CG 3.86Å; Q274-E276 PolarHBondContact O-N 2.92Å
275P57.2Low58.9Low114 Ų114105.6 Ų105.674%0.7460%0.595SS**SBendtrans-71.570.2168.133-34.2000109
276E42.4Very low56.9Low136 Ų136101.3 Ų101.364%0.63659%0.594SS**  trans-129.490.7177.6-68.5-172117.900106.1Q274Q274-E276 HydrophobicContact CB-CB 4.33Å; Q274-E276 HydrophobicContact CB-CG 3.86Å; Q274-E276 PolarHBondContact O-N 2.92Å
277D40Very low55.3Low159 Ų159105.3 Ų105.385%0.8562%0.62SS**  trans174.769.5153.8-86.4-39.6000110.4
278E44.9Very low53.5Low205 Ų205113.3 Ų113.396%0.95866%0.658SS**SBendtrans-128.822.5158.5-134.3-172127.900112.4
279E39.9Very low51.7Low192 Ų192117.9 Ų117.990%0.89768%0.679SS**SBendtrans-149.265.2-178.9-158.6-178.4118.700112.7
280A39Very low50.1Low98 Ų98117.5 Ų117.581%0.8169%0.691SS**  trans-161.397.5162.600000112.9
281G37.3Very low48.3Very low83 Ų83122.4 Ų122.486%0.85672%0.723SS**  trans112.686.7144.100000117.5
282A47.9Very low46.9Very low97 Ų97133 Ų13380%0.80276%0.762SS**  trans-161.3124.5131.200000110.2
283P38.5Very low45Very low110 Ų110134.2 Ų134.271%0.71477%0.769SS**  trans-81.5171.3175.334.1-29.9000111.1
284I48.1Very low43.8Very low152 Ų152138.2 Ų138.278%0.77979%0.792SS**  trans64.5132.9161.555.9169.6000116.3
285E41.7Very low42.7Very low179 Ų179142.1 Ų142.184%0.83681%0.81SS**  cis-169.7136.722.4-150.2165.992.400108
286G39.3Very low42.1Very low72 Ų72141.5 Ų141.574%0.74281%0.809SS**  trans70.8100.4147.400000120.8
287S44.3Very low42.2Very low122 Ų122143.1 Ų143.185%0.85382%0.816SS**  trans137.386137.1-60.80000110.9
288Q43.6Very low42.5Very low177 Ų177141.7 Ų141.783%0.82781%0.813SS**  94.388.893-170.4146.670.100112.4
289L42.8Very low43.2Very low159 Ų159134.7 Ų134.783%0.83278%0.784SS**  trans36.2110.6134.8-71.7160.4000118.7
290A47.3Very low44.1Very low100 Ų100136.1 Ų136.183%0.82678%0.781SS**  -156.3126.1121.700000110.3
291P40.3Very low45.5Very low105 Ų105134 Ų13468%0.68276%0.755SS**  trans-90.5158.3178.836.4-31.7000111.3
292R46.6Very low47.4Very low232 Ų232134.4 Ų134.488%0.87574%0.738SS**  trans132.6103.5160.8-75.2163.7131.89811.1109.5
293D34.9Very low49Very low150 Ų150135.2 Ų135.280%0.80274%0.735SS**  50.577.471.1-140.8-84.9000111.3
294L43.5Very low51Low160 Ų160136.7 Ų136.784%0.83873%0.732SS**  trans-151.8114.6149.4-145.977.3000108.3S296L294-S296 VanDerWaalsContact C-N 3.34Å; L294-S296 PolarHBondContact O-N 3.22Å
295E37.3Very low52.9Low182 Ų182129.7 Ų129.785%0.8570%0.696SS**  trans-54.793.6169.8-63.7166.988.100109.3Q297E295-Q297 PolarHBondContact O-N 2.84Å
296S44.8Very low54.9Low102 Ų102126.3 Ų126.371%0.71368%0.682SS**  trans-72.183.5163.352.30000106.9L294 V298L294-S296 VanDerWaalsContact C-N 3.34Å; L294-S296 PolarHBondContact O-N 3.22Å; S296-V298 VanDerWaalsContact C-N 3.26Å; S296-V298 VanDerWaalsContact O-CG2 3.23Å; S296-V298 WeakPolarHBondContact O-CG2 3.49Å; S296-V298 PolarHBondContact O-N 3.36Å
297Q43.9Very low57.2Low170 Ų170130.1 Ų130.179%0.79468%0.68SS**  trans-49.197.2164.2-175.7172.6-8.200106.7E295 V299E295-Q297 PolarHBondContact O-N 2.84Å; Q297-V299 HydrophobicContact CG-CG2 4.33Å; Q297-V299 PolarHBondContact O-N 2.93Å
298V46.9Very low59.2Low129 Ų129125.1 Ų125.178%0.78264%0.644SS**  trans-70.283.1179.9-169.20000106.3S296 R300S296-V298 VanDerWaalsContact C-N 3.26Å; S296-V298 VanDerWaalsContact O-CG2 3.23Å; S296-V298 WeakPolarHBondContact O-CG2 3.49Å; S296-V298 PolarHBondContact O-N 3.36Å; V298-R300 PolarHBondContact O-N 3.49Å; V298-R300 VanDerWaalsContact O-N 3.12Å
299V60.3Low61.3Low57 Ų57117.1 Ų117.135%0.34561%0.606SS.*  trans-59.6116174.11770000106.5Q297 L301 F327Q297-V299 HydrophobicContact CG-CG2 4.33Å; Q297-V299 PolarHBondContact O-N 2.93Å; V299-L301 VanDerWaalsContact C-N 3.32Å; V299-L301 HydrophobicContact CB-CD1 4.43Å; V299-L301 HydrophobicContact CG1-CD1 4.29Å; V299-L301 VanDerWaalsContact O-CD1 3.27Å; V299-L301 WeakPolarHBondContact O-CD1 3.36Å; V299-L301 PolarHBondContact O-N 3.39Å; V299-F327 HydrophobicContact CG1-CD1 4.13Å; V299-F327 HydrophobicContact CG1-CD2 4.36Å; V299-F327 HydrophobicContact CG1-CE1 3.39Å; V299-F327 HydrophobicContact CG1-CE2 3.68Å; V299-F327 HydrophobicContact CG1-CZ 3.15Å
300R57.9Low63.6Low223 Ų223116 Ų11684%0.84260%0.597SS**  trans-72.888.7177.2-164.280169.8-146.9-0.2107.7V298 L302V298-R300 PolarHBondContact O-N 3.49Å; V298-R300 VanDerWaalsContact O-N 3.12Å; R300-L302 PolarHBondContact O-N 3.4Å
301L68.2Low65.5Low52 Ų52118.6 Ų118.627%0.27259%0.585SS.*  trans-59.6126.1171.7-80.876.8000109V299 D305 M306 I309 F327V299-L301 VanDerWaalsContact C-N 3.32Å; V299-L301 HydrophobicContact CB-CD1 4.43Å; V299-L301 HydrophobicContact CG1-CD1 4.29Å; V299-L301 VanDerWaalsContact O-CD1 3.27Å; V299-L301 WeakPolarHBondContact O-CD1 3.36Å; V299-L301 PolarHBondContact O-N 3.39Å; L301-D305 HydrophobicContact CB-CB 4.48Å; L301-M306 HydrophobicContact CB-CE 3.98Å; L301-M306 HydrophobicContact CB-CG 4.25Å; L301-M306 HydrophobicContact CD2-CG 4.12Å; L301-I309 HydrophobicContact CD2-CD1 3.31Å; L301-I309 HydrophobicContact CG-CD1 4.23Å; L301-F327 HydrophobicContact CG-CE2 4.41Å
302L77.5Confident67.8Low93 Ų93113.6 Ų113.649%0.48755%0.553SS.*  trans-78157.2169.6-79.387.4000109.5R300 Q304 D305 M306R300-L302 PolarHBondContact O-N 3.4Å; L302-Q304 PolarHBondContact O-N 3.36Å; L302-Q304 VanDerWaalsContact O-N 3.15Å; L302-D305 WeakPolarHBondContact CB-OD2 3.35Å; L302-D305 PolarHBondContact N-OD2 3.3Å; L302-D305 WeakPolarHBondContact O-CA 3.43Å; L302-D305 VanDerWaalsContact O-CB 3.3Å; L302-D305 WeakPolarHBondContact O-CB 3.15Å; L302-D305 PolarHBondContact O-N 2.84Å; L302-M306 PolarHBondContact O-N 3.15Å
303P80.8Confident69.8Low113 Ų113107.3 Ų107.373%0.73453%0.532SS*.Hα-helixtrans-55.7-33.8178.719.6-32.4000113.1D305 M306 E307P303-D305 VanDerWaalsContact C-N 3.34Å; P303-M306 PolarHBondContact O-N 2.69Å; P303-E307 PolarHBondContact O-N 3.26Å
304Q81.9Confident72.3Confident142 Ų142105 Ų10566%0.66453%0.527SS*.Hα-helixtrans-68.2-33175.2-159.9-178.3-5700112.6L302 M306 I308L302-Q304 PolarHBondContact O-N 3.36Å; L302-Q304 VanDerWaalsContact O-N 3.15Å; Q304-M306 VanDerWaalsContact C-N 3.34Å; Q304-I308 PolarHBondContact O-N 3.1Å
305D86.2Confident74.3Confident5 Ų5102.3 Ų102.33%0.02751%0.512CS..Hα-helixtrans-67-39.7176.1-56.4-33.6000109.9L301 L302 P303 I308 I309 Y326 K331L301-D305 HydrophobicContact CB-CB 4.48Å; L302-D305 WeakPolarHBondContact CB-OD2 3.35Å; L302-D305 PolarHBondContact N-OD2 3.3Å; L302-D305 WeakPolarHBondContact O-CA 3.43Å; L302-D305 VanDerWaalsContact O-CB 3.3Å; L302-D305 WeakPolarHBondContact O-CB 3.15Å; L302-D305 PolarHBondContact O-N 2.84Å; P303-D305 VanDerWaalsContact C-N 3.34Å; D305-I308 PolarHBondContact O-N 3.15Å; D305-I309 HydrophobicContact CB-CD1 4.45Å; D305-I309 WeakPolarHBondContact O-CB 3.49Å; D305-I309 VanDerWaalsContact O-CD1 3.25Å; D305-I309 WeakPolarHBondContact O-CD1 3.4Å; D305-I309 WeakPolarHBondContact O-CG1 3.36Å; D305-I309 PolarHBondContact O-N 2.96Å; D305-Y326 HydrophobicContact CB-CE1 3.66Å; D305-Y326 WeakPolarHBondContact OD1-CE1 3.08Å; D305-Y326 PolarHBondContact OD1-OH 3.02Å; D305-K331 IonicContact OD1-NZ 3.31Å; D305-K331 PolarHBondContact OD1-NZ 2.99Å; D305-K331 IonicContact OD2-NZ 3.56Å; D305-K331 PolarHBondContact OD2-NZ 3.36Å
306M84.5Confident76.5Confident107 Ų10796.2 Ų96.253%0.52750%0.498SS..Hα-helixtrans-64.1-40.5178.6-67.5-172.9-178.800113L301 L302 P303 Q304 I308 I309 E310L301-M306 HydrophobicContact CB-CE 3.98Å; L301-M306 HydrophobicContact CB-CG 4.25Å; L301-M306 HydrophobicContact CD2-CG 4.12Å; L302-M306 PolarHBondContact O-N 3.15Å; P303-M306 PolarHBondContact O-N 2.69Å; Q304-M306 VanDerWaalsContact C-N 3.34Å; M306-I308 VanDerWaalsContact C-N 3.35Å; M306-I308 PolarHBondContact O-N 3.34Å; M306-I309 PolarHBondContact O-N 3.45Å; M306-E310 WeakPolarHBondContact O-CB 3.38Å; M306-E310 PolarHBondContact O-N 3.38Å
307E88.5Confident78.4Confident153 Ų15392.1 Ų92.172%0.71547%0.467SS*.Hα-helixtrans-63.4-42.2178-168.9-177.4104.100111.5P303 E310 R311P303-E307 PolarHBondContact O-N 3.26Å; E307-E310 PolarHBondContact O-N 3.01Å; E307-R311 WeakPolarHBondContact O-CB 3.39Å; E307-R311 PolarHBondContact O-N 3.22Å
308I85.9Confident80.5Confident16 Ų1687.5 Ų87.58%0.08245%0.452CS..Hα-helixtrans-66.3-45.3176.8-65.4170.2000109.9Q304 D305 M306 E310 R311 L312 Y326 E333Q304-I308 PolarHBondContact O-N 3.1Å; D305-I308 PolarHBondContact O-N 3.15Å; M306-I308 VanDerWaalsContact C-N 3.35Å; M306-I308 PolarHBondContact O-N 3.34Å; I308-E310 VanDerWaalsContact C-N 3.29Å; I308-E310 PolarHBondContact O-N 3.36Å; I308-R311 PolarHBondContact O-N 3.13Å; I308-L312 HydrophobicContact CG2-CD1 3.81Å; I308-L312 WeakPolarHBondContact O-CD1 3.39Å; I308-L312 PolarHBondContact O-N 3.18Å; I308-Y326 HydrophobicContact CB-CE2 4.02Å; I308-Y326 HydrophobicContact CD1-CE2 3.66Å; I308-Y326 WeakPolarHBondContact CD1-OH 3.29Å; I308-Y326 HydrophobicContact CG1-CE2 4.43Å; I308-Y326 HydrophobicContact CG2-CD2 3.71Å; I308-Y326 HydrophobicContact CG2-CE2 3.57Å; I308-E333 HydrophobicContact CD1-CB 4.29Å; I308-E333 HydrophobicContact CG2-CB 3.81Å; I308-E333 HydrophobicContact CG2-CG 3.85Å
309I88.2Confident82.4Confident9 Ų985.7 Ų85.75%0.04644%0.435CS..Hα-helixtrans-59-42176.6-67.8158000110.9L301 D305 M306 L312 K313 E319 V322 I323L301-I309 HydrophobicContact CD2-CD1 3.31Å; L301-I309 HydrophobicContact CG-CD1 4.23Å; D305-I309 HydrophobicContact CB-CD1 4.45Å; D305-I309 WeakPolarHBondContact O-CB 3.49Å; D305-I309 VanDerWaalsContact O-CD1 3.25Å; D305-I309 WeakPolarHBondContact O-CD1 3.4Å; D305-I309 WeakPolarHBondContact O-CG1 3.36Å; D305-I309 PolarHBondContact O-N 2.96Å; M306-I309 PolarHBondContact O-N 3.45Å; I309-L312 PolarHBondContact O-N 3.21Å; I309-K313 WeakPolarHBondContact O-CB 3.42Å; I309-K313 PolarHBondContact O-N 3.01Å; I309-E319 HydrophobicContact CG2-CG 4.04Å; I309-V322 HydrophobicContact CB-CG1 4.06Å; I309-V322 HydrophobicContact CG1-CG1 3.99Å; I309-V322 HydrophobicContact CG2-CG1 3.94Å; I309-I323 HydrophobicContact CD1-CG1 3.71Å; I309-I323 HydrophobicContact CG1-CG1 4.1Å; I309-I323 HydrophobicContact CG2-CG1 4.18Å
310E89.1Confident83.6Confident136 Ų13687.7 Ų87.764%0.63645%0.452SS*.Hα-helixtrans-68.2-36.9178.9-163.5177.311400112.4M306 E307 I308 K313 S314M306-E310 WeakPolarHBondContact O-CB 3.38Å; M306-E310 PolarHBondContact O-N 3.38Å; E307-E310 PolarHBondContact O-N 3.01Å; I308-E310 VanDerWaalsContact C-N 3.29Å; I308-E310 PolarHBondContact O-N 3.36Å; E310-K313 PolarHBondContact O-N 2.78Å; E310-S314 WeakPolarHBondContact O-CB 3.28Å; E310-S314 PolarHBondContact O-N 3.04Å; E310-S314 PolarHBondContact O-OG 3.43Å
311R88Confident85.1Confident154 Ų15478.7 Ų78.758%0.58143%0.425SS*.Hα-helixtrans-65.1-44.3173.8-169.2-178.7-168.7179.410111.9E307 I308 S314 M315 E333E307-R311 WeakPolarHBondContact O-CB 3.39Å; E307-R311 PolarHBondContact O-N 3.22Å; I308-R311 PolarHBondContact O-N 3.13Å; R311-S314 WeakPolarHBondContact O-CB 3.36Å; R311-S314 PolarHBondContact O-N 3.15Å; R311-M315 PolarHBondContact O-N 3.32Å; R311-E333 VanDerWaalsContact CD-OE1 3.32Å; R311-E333 WeakPolarHBondContact CD-OE1 3.38Å; R311-E333 IonicContact CZ-OE1 3.62Å; R311-E333 IonicContact NE-OE1 3.36Å; R311-E333 IonicContact NH1-OE1 2.69Å; R311-E333 PolarHBondContact NH1-OE1 3.01Å; R311-E333 IonicContact NH1-OE2 3.76Å
312L87.9Confident86.1Confident0 Ų076.2 Ų76.20%041%0.412CS..Hα-helixtrans-68.9-39.6177.4-89.465.3000111I308 I309 S314 M315 F317 V322 E333 A336 V337 L340I308-L312 HydrophobicContact CG2-CD1 3.81Å; I308-L312 WeakPolarHBondContact O-CD1 3.39Å; I308-L312 PolarHBondContact O-N 3.18Å; I309-L312 PolarHBondContact O-N 3.21Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 3.39Å; L312-M315 HydrophobicContact CD1-CE 4.04Å; L312-M315 HydrophobicContact CG-CE 4.05Å; L312-M315 WeakPolarHBondContact O-CB 3.34Å; L312-M315 PolarHBondContact O-N 3.42Å; L312-F317 WeakPolarHBondContact O-CD2 3.07Å; L312-F317 PolarHBondContact O-N 3.41Å; L312-V322 HydrophobicContact CB-CB 4.28Å; L312-V322 HydrophobicContact CB-CG1 3.44Å; L312-V322 VanDerWaalsContact CB-CG1 3.44Å; L312-V322 HydrophobicContact CB-CG2 3.75Å; L312-V322 HydrophobicContact CD2-CG1 3.73Å; L312-V322 HydrophobicContact CG-CG1 4.2Å; L312-E333 HydrophobicContact CD1-CG 3.94Å; L312-A336 HydrophobicContact CD2-CB 4Å; L312-V337 HydrophobicContact CD1-CG2 3.76Å; L312-V337 HydrophobicContact CD2-CG2 3.98Å; L312-V337 HydrophobicContact CG-CG2 3.77Å; L312-L340 HydrophobicContact CD2-CD1 3.59Å; L312-L340 HydrophobicContact CG-CD1 4.32Å
313K88.5Confident86.6Confident101 Ų10174 Ų7444%0.43940%0.4SS..Hα-helixtrans-61.1-36.9172.5-172.9177.5174.2177.50112I309 E310 M315 G316 F317 E319I309-K313 WeakPolarHBondContact O-CB 3.42Å; I309-K313 PolarHBondContact O-N 3.01Å; E310-K313 PolarHBondContact O-N 2.78Å; K313-M315 VanDerWaalsContact C-N 3.27Å; K313-M315 PolarHBondContact O-N 3.39Å; K313-G316 PolarHBondContact O-N 3.33Å; K313-F317 WeakPolarHBondContact CA-O 3.27Å; K313-E319 HydrophobicContact CD-CB 4.23Å; K313-E319 IonicContact NZ-OE2 2.88Å; K313-E319 PolarHBondContact NZ-OE2 3.3Å
314S88.8Confident87Confident100 Ų10075.2 Ų75.270%0.69940%0.396SS*.Hα-helixtrans-69.4-21.4174.6-630000113.7E310 R311 L312 G316E310-S314 WeakPolarHBondContact O-CB 3.28Å; E310-S314 PolarHBondContact O-N 3.04Å; E310-S314 PolarHBondContact O-OG 3.43Å; R311-S314 WeakPolarHBondContact O-CB 3.36Å; R311-S314 PolarHBondContact O-N 3.15Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 3.39Å; S314-G316 PolarHBondContact O-N 3.07Å
315M84.2Confident87.3Confident105 Ų10568.4 Ų68.452%0.51736%0.364SS..THydrogen-bonded Turntrans-77.2-6.9169.7-77.7-170.3-76.100113.3R311 L312 K313 F317 V337R311-M315 PolarHBondContact O-N 3.32Å; L312-M315 HydrophobicContact CD1-CE 4.04Å; L312-M315 HydrophobicContact CG-CE 4.05Å; L312-M315 WeakPolarHBondContact O-CB 3.34Å; L312-M315 PolarHBondContact O-N 3.42Å; K313-M315 VanDerWaalsContact C-N 3.27Å; K313-M315 PolarHBondContact O-N 3.39Å; M315-F317 HydrophobicContact CB-CD2 3.85Å; M315-F317 HydrophobicContact CB-CE2 3.79Å; M315-F317 HydrophobicContact CE-CE2 4.38Å; M315-F317 HydrophobicContact SD-CE2 4.5Å; M315-V337 HydrophobicContact CE-CG1 4.37Å; M315-V337 HydrophobicContact CE-CG2 3.66Å
316G84.9Confident87.4Confident54 Ų5468.3 Ų68.356%0.55736%0.363SS*.THydrogen-bonded Turntrans102.33.4177.900000114.5K313 S314K313-G316 PolarHBondContact O-N 3.33Å; S314-G316 PolarHBondContact O-N 3.07Å
317F84.3Confident87.6Confident15 Ų1566.3 Ų66.37%0.06635%0.352CS..  trans-77.6138.1174.8-58.9-69.1000110.9L312 K313 M315 V322 L340 L341 M344L312-F317 WeakPolarHBondContact O-CD2 3.07Å; L312-F317 PolarHBondContact O-N 3.41Å; K313-F317 WeakPolarHBondContact CA-O 3.27Å; M315-F317 HydrophobicContact CB-CD2 3.85Å; M315-F317 HydrophobicContact CB-CE2 3.79Å; M315-F317 HydrophobicContact CE-CE2 4.38Å; M315-F317 HydrophobicContact SD-CE2 4.5Å; F317-V322 HydrophobicContact CB-CG2 3.36Å; F317-V322 HydrophobicContact CG-CG2 4.48Å; F317-L340 HydrophobicContact CB-CD1 4.1Å; F317-L340 HydrophobicContact CB-CD2 4.41Å; F317-L340 HydrophobicContact CD1-CB 3.72Å; F317-L340 HydrophobicContact CD1-CD1 4.32Å; F317-L340 HydrophobicContact CD1-CD2 4.29Å; F317-L340 HydrophobicContact CD1-CG 4.34Å; F317-L340 HydrophobicContact CD2-CB 4.48Å; F317-L340 HydrophobicContact CD2-CD1 4.08Å; F317-L340 HydrophobicContact CE1-CB 3.7Å; F317-L340 HydrophobicContact CE2-CB 4.48Å; F317-L340 HydrophobicContact CG-CB 4.13Å; F317-L340 HydrophobicContact CG-CD1 3.91Å; F317-L340 HydrophobicContact CG-CD2 4.46Å; F317-L340 HydrophobicContact CG-CG 4.41Å; F317-L340 HydrophobicContact CZ-CB 4.1Å; F317-L341 HydrophobicContact CE1-CD2 4.38Å; F317-L341 HydrophobicContact CZ-CD2 3.74Å; F317-L341 HydrophobicContact CZ-CG 3.97Å; F317-M344 HydrophobicContact CD1-CE 3.78Å; F317-M344 HydrophobicContact CD1-SD 3.52Å; F317-M344 VanDerWaalsContact CD1-SD 3.52Å; F317-M344 HydrophobicContact CE1-CE 4.16Å; F317-M344 HydrophobicContact CE1-SD 3.73Å
318P87.6Confident87.6Confident74 Ų7462.5 Ų62.548%0.48135%0.347SS..  trans-68.5138.1178.926.1-30.5000110.6S320 A321 V322P318-S320 PolarHBondContact O-N 3.21Å; P318-S320 VanDerWaalsContact O-N 3.07Å; P318-A321 HydrophobicContact CG-CB 3.75Å; P318-A321 PolarHBondContact O-N 2.88Å; P318-V322 WeakPolarHBondContact O-CG2 3.48Å; P318-V322 PolarHBondContact O-N 3.42Å
319E86.3Confident87.7Confident91 Ų9162.8 Ų62.843%0.42535%0.35SS..Hα-helixtrans-50.7-39.6-175-174.4176.1135.500113I309 K313 V322 I323I309-E319 HydrophobicContact CG2-CG 4.04Å; K313-E319 HydrophobicContact CD-CB 4.23Å; K313-E319 IonicContact NZ-OE2 2.88Å; K313-E319 PolarHBondContact NZ-OE2 3.3Å; E319-V322 PolarHBondContact O-N 3.3Å; E319-I323 HydrophobicContact CG-CD1 3.83Å; E319-I323 HydrophobicContact CG-CG1 4.47Å; E319-I323 WeakPolarHBondContact O-CD1 3.37Å; E319-I323 WeakPolarHBondContact O-CG1 3.2Å; E319-I323 PolarHBondContact O-N 3.49Å
320S87.3Confident87.7Confident99 Ų9969.2 Ų69.269%0.69238%0.38SS*.Hα-helixtrans-63-46.9177.6-52.30000112.9P318 V322 I323 E324P318-S320 PolarHBondContact O-N 3.21Å; P318-S320 VanDerWaalsContact O-N 3.07Å; S320-V322 VanDerWaalsContact C-N 3.31Å; S320-V322 PolarHBondContact O-N 2.92Å; S320-I323 PolarHBondContact O-N 2.89Å; S320-E324 WeakPolarHBondContact O-CB 3.22Å; S320-E324 PolarHBondContact O-N 2.82Å
321A88.7Confident87.5Confident33 Ų3366.5 Ų66.527%0.27337%0.366SS..Hα-helixtrans-67.2-37.1177.300000110.8P318 E324 A325 L340P318-A321 HydrophobicContact CG-CB 3.75Å; P318-A321 PolarHBondContact O-N 2.88Å; A321-E324 PolarHBondContact O-N 3.14Å; A321-A325 VanDerWaalsContact O-CB 3.22Å; A321-A325 WeakPolarHBondContact O-CB 3.48Å; A321-A325 PolarHBondContact O-N 3.47Å; A321-L340 HydrophobicContact CB-CD2 3.71Å
322V89.7Confident87.4Confident0 Ų062.4 Ų62.40%036%0.356CS..Hα-helixtrans-61.5-47.6177.1173.60000111.5I309 L312 F317 P318 E319 S320 Y326 L340I309-V322 HydrophobicContact CB-CG1 4.06Å; I309-V322 HydrophobicContact CG1-CG1 3.99Å; I309-V322 HydrophobicContact CG2-CG1 3.94Å; L312-V322 HydrophobicContact CB-CB 4.28Å; L312-V322 HydrophobicContact CB-CG1 3.44Å; L312-V322 VanDerWaalsContact CB-CG1 3.44Å; L312-V322 HydrophobicContact CB-CG2 3.75Å; L312-V322 HydrophobicContact CD2-CG1 3.73Å; L312-V322 HydrophobicContact CG-CG1 4.2Å; F317-V322 HydrophobicContact CB-CG2 3.36Å; F317-V322 HydrophobicContact CG-CG2 4.48Å; P318-V322 WeakPolarHBondContact O-CG2 3.48Å; P318-V322 PolarHBondContact O-N 3.42Å; E319-V322 PolarHBondContact O-N 3.3Å; S320-V322 VanDerWaalsContact C-N 3.31Å; S320-V322 PolarHBondContact O-N 2.92Å; V322-Y326 WeakPolarHBondContact O-CB 3.38Å; V322-Y326 PolarHBondContact O-N 3.1Å; V322-L340 HydrophobicContact CB-CD1 4.44Å; V322-L340 HydrophobicContact CG2-CD1 3.9Å
323I88Confident87.4Confident46 Ų4665 Ų6524%0.23637%0.368CS..Hα-helixtrans-62.1-47.2177.4-67.6164.5000109.6I309 E319 S320 Y326 F327I309-I323 HydrophobicContact CD1-CG1 3.71Å; I309-I323 HydrophobicContact CG1-CG1 4.1Å; I309-I323 HydrophobicContact CG2-CG1 4.18Å; E319-I323 HydrophobicContact CG-CD1 3.83Å; E319-I323 HydrophobicContact CG-CG1 4.47Å; E319-I323 WeakPolarHBondContact O-CD1 3.37Å; E319-I323 WeakPolarHBondContact O-CG1 3.2Å; E319-I323 PolarHBondContact O-N 3.49Å; S320-I323 PolarHBondContact O-N 2.89Å; I323-Y326 PolarHBondContact O-N 3.31Å; I323-F327 HydrophobicContact CG2-CD2 3.77Å; I323-F327 HydrophobicContact CG2-CE2 4.06Å; I323-F327 VanDerWaalsContact O-CD2 3.31Å; I323-F327 WeakPolarHBondContact O-CD2 3.43Å; I323-F327 PolarHBondContact O-N 3.31Å
324E87.7Confident87.5Confident139 Ų13965.4 Ų65.465%0.6538%0.379SS*.Hα-helixtrans-59.8-52.2179.9-170.1176.998.700111.7S320 A321 Y326 F327 A328S320-E324 WeakPolarHBondContact O-CB 3.22Å; S320-E324 PolarHBondContact O-N 2.82Å; A321-E324 PolarHBondContact O-N 3.14Å; E324-Y326 VanDerWaalsContact C-N 3.34Å; E324-Y326 PolarHBondContact O-N 2.96Å; E324-F327 PolarHBondContact O-N 3.28Å; E324-A328 WeakPolarHBondContact O-CB 3.46Å; E324-A328 PolarHBondContact O-N 3.12Å
325A88.4Confident87.5Confident0 Ų065.1 Ų65.10%037%0.369CS..Hα-helixtrans-60.7-42.6177.600000112A321 A328 C329 A336 F339 L340A321-A325 VanDerWaalsContact O-CB 3.22Å; A321-A325 WeakPolarHBondContact O-CB 3.48Å; A321-A325 PolarHBondContact O-N 3.47Å; A325-A328 PolarHBondContact O-N 2.78Å; A325-C329 VanDerWaalsContact O-CB 3.25Å; A325-C329 WeakPolarHBondContact O-CB 3.36Å; A325-C329 PolarHBondContact O-N 3.17Å; A325-C329 PolarHBondContact O-SG 3.12Å; A325-A336 HydrophobicContact CB-CB 4.32Å; A325-F339 HydrophobicContact CB-CD1 3.61Å; A325-F339 HydrophobicContact CB-CE1 4.32Å; A325-F339 HydrophobicContact CB-CG 4.46Å; A325-L340 HydrophobicContact CB-CD1 4.19Å; A325-L340 HydrophobicContact CB-CD2 3.9Å; A325-L340 HydrophobicContact CB-CG 3.66Å
326Y89.6Confident87.8Confident2 Ų260.1 Ų60.11%0.00834%0.344CS..Hα-helixtrans-66.4-41-179-179.5-104000112.6D305 I308 V322 I323 E324 K331 A336D305-Y326 HydrophobicContact CB-CE1 3.66Å; D305-Y326 WeakPolarHBondContact OD1-CE1 3.08Å; D305-Y326 PolarHBondContact OD1-OH 3.02Å; I308-Y326 HydrophobicContact CB-CE2 4.02Å; I308-Y326 HydrophobicContact CD1-CE2 3.66Å; I308-Y326 WeakPolarHBondContact CD1-OH 3.29Å; I308-Y326 HydrophobicContact CG1-CE2 4.43Å; I308-Y326 HydrophobicContact CG2-CD2 3.71Å; I308-Y326 HydrophobicContact CG2-CE2 3.57Å; V322-Y326 WeakPolarHBondContact O-CB 3.38Å; V322-Y326 PolarHBondContact O-N 3.1Å; I323-Y326 PolarHBondContact O-N 3.31Å; E324-Y326 VanDerWaalsContact C-N 3.34Å; E324-Y326 PolarHBondContact O-N 2.96Å; Y326-K331 HydrophobicContact CE1-CB 3.86Å; Y326-K331 HydrophobicContact CE1-CD 4.5Å; Y326-K331 HydrophobicContact CE1-CG 3.84Å; Y326-K331 HydrophobicContact CE2-CB 4.18Å; Y326-K331 WeakPolarHBondContact CE2-O 3.04Å; Y326-K331 VanDerWaalsContact O-CA 3.3Å; Y326-K331 WeakPolarHBondContact O-CA 3.5Å; Y326-K331 PolarHBondContact O-N 3.31Å; Y326-A336 HydrophobicContact CD2-CB 4.33Å
327F88.8Confident88Confident65 Ų6558.8 Ų58.829%0.28533%0.325SS..Hα-helixtrans-74.6-34.4174.3-82.7-82.8000112.6V299 L301 I323 E324 C329 E330V299-F327 HydrophobicContact CG1-CD1 4.13Å; V299-F327 HydrophobicContact CG1-CD2 4.36Å; V299-F327 HydrophobicContact CG1-CE1 3.39Å; V299-F327 HydrophobicContact CG1-CE2 3.68Å; V299-F327 HydrophobicContact CG1-CZ 3.15Å; L301-F327 HydrophobicContact CG-CE2 4.41Å; I323-F327 HydrophobicContact CG2-CD2 3.77Å; I323-F327 HydrophobicContact CG2-CE2 4.06Å; I323-F327 VanDerWaalsContact O-CD2 3.31Å; I323-F327 WeakPolarHBondContact O-CD2 3.43Å; I323-F327 PolarHBondContact O-N 3.31Å; E324-F327 PolarHBondContact O-N 3.28Å; F327-C329 VanDerWaalsContact C-N 3.31Å; F327-C329 PolarHBondContact O-N 3.44Å; F327-E330 PolarHBondContact O-N 3.45Å
328A88.1Confident88.2Confident74 Ų7462.9 Ų62.961%0.61235%0.348SS*.Hα-helixtrans-64.6-36.5174.300000112E324 A325 E330E324-A328 WeakPolarHBondContact O-CB 3.46Å; E324-A328 PolarHBondContact O-N 3.12Å; A325-A328 PolarHBondContact O-N 2.78Å; A328-E330 PolarHBondContact O-N 3.3Å
329C88.6Confident88.2Confident22 Ų2263.7 Ų63.715%0.14934%0.344CS..THydrogen-bonded Turntrans-85.822.4176.4-64.30000113.8A325 F327 K331 N332 L335 A336A325-C329 VanDerWaalsContact O-CB 3.25Å; A325-C329 WeakPolarHBondContact O-CB 3.36Å; A325-C329 PolarHBondContact O-N 3.17Å; A325-C329 PolarHBondContact O-SG 3.12Å; F327-C329 VanDerWaalsContact C-N 3.31Å; F327-C329 PolarHBondContact O-N 3.44Å; C329-K331 VanDerWaalsContact C-N 3.29Å; C329-K331 PolarHBondContact O-N 2.85Å; C329-N332 WeakPolarHBondContact O-CB 3.45Å; C329-N332 PolarHBondContact O-N 3.47Å; C329-N332 VanDerWaalsContact O-N 3.14Å; C329-L335 HydrophobicContact CB-CB 3.6Å; C329-L335 VanDerWaalsContact SG-C 3.5Å; C329-A336 HydrophobicContact CB-CB 4.41Å
330E87Confident88.3Confident143 Ų14359.6 Ų59.667%0.66833%0.325SS*.THydrogen-bonded Turntrans58.536.7175-121.2-175122.100113.5N37 F327 A328N37-E330 PolarHBondContact ND2-OE1 2.9Å; F327-E330 PolarHBondContact O-N 3.45Å; A328-E330 PolarHBondContact O-N 3.3Å
331K85.1Confident88.2Confident79 Ų7958.9 Ų58.934%0.34331%0.313SS..THydrogen-bonded Turntrans66.932.5-176.8-55.5-174.9173.3-146.90114.5D305 Y326 C329D305-K331 IonicContact OD1-NZ 3.31Å; D305-K331 PolarHBondContact OD1-NZ 2.99Å; D305-K331 IonicContact OD2-NZ 3.56Å; D305-K331 PolarHBondContact OD2-NZ 3.36Å; Y326-K331 HydrophobicContact CE1-CB 3.86Å; Y326-K331 HydrophobicContact CE1-CD 4.5Å; Y326-K331 HydrophobicContact CE1-CG 3.84Å; Y326-K331 HydrophobicContact CE2-CB 4.18Å; Y326-K331 WeakPolarHBondContact CE2-O 3.04Å; Y326-K331 VanDerWaalsContact O-CA 3.3Å; Y326-K331 WeakPolarHBondContact O-CA 3.5Å; Y326-K331 PolarHBondContact O-N 3.31Å; C329-K331 VanDerWaalsContact C-N 3.29Å; C329-K331 PolarHBondContact O-N 2.85Å
332N87.1Confident88Confident69 Ų6962.1 Ų62.137%0.36932%0.323SS..  trans-102.5113.4176.9-169.8-42.8000111.2C329 T334 L335 A336C329-N332 WeakPolarHBondContact O-CB 3.45Å; C329-N332 PolarHBondContact O-N 3.47Å; C329-N332 VanDerWaalsContact O-N 3.14Å; N332-T334 PolarHBondContact O-N 2.73Å; N332-T334 PolarHBondContact OD1-N 3.46Å; N332-L335 HydrophobicContact CB-CB 4.09Å; N332-L335 HydrophobicContact CB-CD1 4.02Å; N332-L335 HydrophobicContact CB-CG 4.21Å; N332-L335 PolarHBondContact O-N 2.98Å; N332-L335 PolarHBondContact OD1-N 3.26Å; N332-A336 VanDerWaalsContact O-CB 3.26Å; N332-A336 WeakPolarHBondContact O-CB 3.34Å; N332-A336 PolarHBondContact O-N 2.9Å
333E88Confident87.6Confident54 Ų5464.2 Ų64.225%0.25234%0.337SS..Hα-helixtrans-55.9-46.5178.7178.5-179.3164.600112.6I308 R311 L312 A336 V337I308-E333 HydrophobicContact CD1-CB 4.29Å; I308-E333 HydrophobicContact CG2-CB 3.81Å; I308-E333 HydrophobicContact CG2-CG 3.85Å; R311-E333 VanDerWaalsContact CD-OE1 3.32Å; R311-E333 WeakPolarHBondContact CD-OE1 3.38Å; R311-E333 IonicContact CZ-OE1 3.62Å; R311-E333 IonicContact NE-OE1 3.36Å; R311-E333 IonicContact NH1-OE1 2.69Å; R311-E333 PolarHBondContact NH1-OE1 3.01Å; R311-E333 IonicContact NH1-OE2 3.76Å; L312-E333 HydrophobicContact CD1-CG 3.94Å; E333-A336 PolarHBondContact O-N 3.41Å; E333-V337 VanDerWaalsContact O-CG2 3.27Å; E333-V337 WeakPolarHBondContact O-CG2 3.36Å; E333-V337 PolarHBondContact O-N 3.23Å
334T90Very high86.9Confident110 Ų11065.7 Ų65.768%0.67534%0.344SS*.Hα-helixtrans-69.1-41.3-173.2-53.20000111.5N332 N338N332-T334 PolarHBondContact O-N 2.73Å; N332-T334 PolarHBondContact OD1-N 3.46Å; T334-N338 PolarHBondContact O-N 2.97Å; T334-N338 VanDerWaalsContact O-N 3.08Å
335L89.3Confident85.9Confident93 Ų9366 Ų6649%0.48735%0.345SS..Hα-helixtrans-68-40.9175.4-68.4179.3000111.2C329 N332 V337 N338 F339C329-L335 HydrophobicContact CB-CB 3.6Å; C329-L335 VanDerWaalsContact SG-C 3.5Å; N332-L335 HydrophobicContact CB-CB 4.09Å; N332-L335 HydrophobicContact CB-CD1 4.02Å; N332-L335 HydrophobicContact CB-CG 4.21Å; N332-L335 PolarHBondContact O-N 2.98Å; N332-L335 PolarHBondContact OD1-N 3.26Å; L335-V337 PolarHBondContact O-N 3.47Å; L335-N338 PolarHBondContact O-N 3.5Å; L335-F339 WeakPolarHBondContact O-CB 3.43Å; L335-F339 PolarHBondContact O-N 3.47Å
336A89.6Confident84.9Confident0 Ų072 Ų720%037%0.373CS..Hα-helixtrans-61.4-43177.200000111.9L312 A325 Y326 C329 N332 E333 F339 L340L312-A336 HydrophobicContact CD2-CB 4Å; A325-A336 HydrophobicContact CB-CB 4.32Å; Y326-A336 HydrophobicContact CD2-CB 4.33Å; C329-A336 HydrophobicContact CB-CB 4.41Å; N332-A336 VanDerWaalsContact O-CB 3.26Å; N332-A336 WeakPolarHBondContact O-CB 3.34Å; N332-A336 PolarHBondContact O-N 2.9Å; E333-A336 PolarHBondContact O-N 3.41Å; A336-F339 PolarHBondContact O-N 2.99Å; A336-L340 WeakPolarHBondContact O-CB 3.36Å; A336-L340 WeakPolarHBondContact O-CD1 3.46Å; A336-L340 WeakPolarHBondContact O-CG 3.2Å; A336-L340 PolarHBondContact O-N 2.97Å
337V89.1Confident83.5Confident27 Ų2777.5 Ų77.516%0.16440%0.403CS..Hα-helixtrans-62.7-44.2174.8172.80000111.1L312 M315 E333 L335 L340 L341L312-V337 HydrophobicContact CD1-CG2 3.76Å; L312-V337 HydrophobicContact CD2-CG2 3.98Å; L312-V337 HydrophobicContact CG-CG2 3.77Å; M315-V337 HydrophobicContact CE-CG1 4.37Å; M315-V337 HydrophobicContact CE-CG2 3.66Å; E333-V337 VanDerWaalsContact O-CG2 3.27Å; E333-V337 WeakPolarHBondContact O-CG2 3.36Å; E333-V337 PolarHBondContact O-N 3.23Å; L335-V337 PolarHBondContact O-N 3.47Å; V337-L340 PolarHBondContact O-N 3.23Å; V337-L341 HydrophobicContact CG1-CD1 3.86Å; V337-L341 HydrophobicContact CG1-CG 4.34Å; V337-L341 WeakPolarHBondContact O-CB 3.19Å; V337-L341 VanDerWaalsContact O-CG 3.27Å; V337-L341 WeakPolarHBondContact O-CG 3.38Å; V337-L341 PolarHBondContact O-N 3.19Å
338N88.4Confident82Confident101 Ų10180.2 Ų80.254%0.5442%0.42SS..Hα-helixtrans-63.6-43.5178.7-165.4-90.8000111.5T334 L335 L341 Q342T334-N338 PolarHBondContact O-N 2.97Å; T334-N338 VanDerWaalsContact O-N 3.08Å; L335-N338 PolarHBondContact O-N 3.5Å; N338-L341 PolarHBondContact O-N 3.3Å; N338-Q342 WeakPolarHBondContact O-CB 3.14Å; N338-Q342 PolarHBondContact O-N 3.13Å
339F88Confident80.4Confident91 Ų9183.1 Ų83.140%0.39943%0.426SS..Hα-helixtrans-63-42176-174.8-94.4000112.3A325 L335 A336 Q342 S343A325-F339 HydrophobicContact CB-CD1 3.61Å; A325-F339 HydrophobicContact CB-CE1 4.32Å; A325-F339 HydrophobicContact CB-CG 4.46Å; L335-F339 WeakPolarHBondContact O-CB 3.43Å; L335-F339 PolarHBondContact O-N 3.47Å; A336-F339 PolarHBondContact O-N 2.99Å; F339-Q342 PolarHBondContact O-N 2.96Å; F339-S343 WeakPolarHBondContact O-CB 3.43Å; F339-S343 PolarHBondContact O-N 3.22Å; F339-S343 PolarHBondContact O-OG 3.48Å
340L88.3Confident79Confident4 Ų485.8 Ų85.82%0.02145%0.449CS..Hα-helixtrans-66.1-41.9176.6-76165.8000112.6L312 F317 A321 V322 A325 A336 V337 S343 M344L312-L340 HydrophobicContact CD2-CD1 3.59Å; L312-L340 HydrophobicContact CG-CD1 4.32Å; F317-L340 HydrophobicContact CB-CD1 4.1Å; F317-L340 HydrophobicContact CB-CD2 4.41Å; F317-L340 HydrophobicContact CD1-CB 3.72Å; F317-L340 HydrophobicContact CD1-CD1 4.32Å; F317-L340 HydrophobicContact CD1-CD2 4.29Å; F317-L340 HydrophobicContact CD1-CG 4.34Å; F317-L340 HydrophobicContact CD2-CB 4.48Å; F317-L340 HydrophobicContact CD2-CD1 4.08Å; F317-L340 HydrophobicContact CE1-CB 3.7Å; F317-L340 HydrophobicContact CE2-CB 4.48Å; F317-L340 HydrophobicContact CG-CB 4.13Å; F317-L340 HydrophobicContact CG-CD1 3.91Å; F317-L340 HydrophobicContact CG-CD2 4.46Å; F317-L340 HydrophobicContact CG-CG 4.41Å; F317-L340 HydrophobicContact CZ-CB 4.1Å; A321-L340 HydrophobicContact CB-CD2 3.71Å; V322-L340 HydrophobicContact CB-CD1 4.44Å; V322-L340 HydrophobicContact CG2-CD1 3.9Å; A325-L340 HydrophobicContact CB-CD1 4.19Å; A325-L340 HydrophobicContact CB-CD2 3.9Å; A325-L340 HydrophobicContact CB-CG 3.66Å; A336-L340 WeakPolarHBondContact O-CB 3.36Å; A336-L340 WeakPolarHBondContact O-CD1 3.46Å; A336-L340 WeakPolarHBondContact O-CG 3.2Å; A336-L340 PolarHBondContact O-N 2.97Å; V337-L340 PolarHBondContact O-N 3.23Å; L340-S343 PolarHBondContact O-N 3.03Å; L340-M344 WeakPolarHBondContact O-CB 3.4Å; L340-M344 PolarHBondContact O-N 3.32Å
341L85.2Confident77.7Confident84 Ų8483.6 Ų83.644%0.4445%0.45SS..Hα-helixtrans-61.2-47.3175.2-75.1168.7000110.6F317 V337 N338 S343 M344 E345F317-L341 HydrophobicContact CE1-CD2 4.38Å; F317-L341 HydrophobicContact CZ-CD2 3.74Å; F317-L341 HydrophobicContact CZ-CG 3.97Å; V337-L341 HydrophobicContact CG1-CD1 3.86Å; V337-L341 HydrophobicContact CG1-CG 4.34Å; V337-L341 WeakPolarHBondContact O-CB 3.19Å; V337-L341 VanDerWaalsContact O-CG 3.27Å; V337-L341 WeakPolarHBondContact O-CG 3.38Å; V337-L341 PolarHBondContact O-N 3.19Å; N338-L341 PolarHBondContact O-N 3.3Å; L341-S343 VanDerWaalsContact C-N 3.33Å; L341-S343 PolarHBondContact O-N 2.73Å; L341-M344 PolarHBondContact O-N 3.14Å; L341-E345 WeakPolarHBondContact O-CG 3.35Å; L341-E345 PolarHBondContact O-N 2.74Å
342Q84.3Confident76.3Confident102 Ų10286.7 Ų86.748%0.47747%0.469SS..Hα-helixtrans-64.5-39.4179.2-159.2-172-48.700111.8N338 F339 E345 E346N338-Q342 WeakPolarHBondContact O-CB 3.14Å; N338-Q342 PolarHBondContact O-N 3.13Å; F339-Q342 PolarHBondContact O-N 2.96Å; Q342-E345 PolarHBondContact O-N 3.3Å; Q342-E346 PolarHBondContact NE2-OE2 2.77Å; Q342-E346 PolarHBondContact O-N 2.98Å; Q342-E346 VanDerWaalsContact O-N 3.08Å
343S80.6Confident74.7Confident43 Ų4392.1 Ų92.130%0.30149%0.492SS..Hα-helixtrans-66.9-36.4176.3-56.40000112.1F339 L340 L341 E346 D347F339-S343 WeakPolarHBondContact O-CB 3.43Å; F339-S343 PolarHBondContact O-N 3.22Å; F339-S343 PolarHBondContact O-OG 3.48Å; L340-S343 PolarHBondContact O-N 3.03Å; L341-S343 VanDerWaalsContact C-N 3.33Å; L341-S343 PolarHBondContact O-N 2.73Å; S343-E346 PolarHBondContact O-N 2.62Å; S343-D347 PolarHBondContact O-N 3.44Å
344M73.1Confident73.2Confident78 Ų7894.3 Ų94.338%0.38451%0.511SS..Hα-helixtrans-67.2-39.4174.6-126.295154.100111.7F317 L340 L341 E346 D347 D348F317-M344 HydrophobicContact CD1-CE 3.78Å; F317-M344 HydrophobicContact CD1-SD 3.52Å; F317-M344 VanDerWaalsContact CD1-SD 3.52Å; F317-M344 HydrophobicContact CE1-CE 4.16Å; F317-M344 HydrophobicContact CE1-SD 3.73Å; L340-M344 WeakPolarHBondContact O-CB 3.4Å; L340-M344 PolarHBondContact O-N 3.32Å; L341-M344 PolarHBondContact O-N 3.14Å; M344-E346 VanDerWaalsContact C-N 3.3Å; M344-E346 PolarHBondContact O-N 2.86Å; M344-D347 PolarHBondContact O-N 3.05Å; M344-D348 PolarHBondContact O-N 3.47Å; M344-D348 VanDerWaalsContact O-N 3.16Å
345E68.4Low71.6Confident145 Ų14595.3 Ų95.368%0.67852%0.519SS*.Hα-helixtrans-65.8-32.7176.8-73.3-179.597.600112.1L341 Q342L341-E345 WeakPolarHBondContact O-CG 3.35Å; L341-E345 PolarHBondContact O-N 2.74Å; Q342-E345 PolarHBondContact O-N 3.3Å
346E65.7Low70Confident125 Ų125100 Ų10058%0.58454%0.539SS*.Hα-helixtrans-75.5-32.1176.4-74.317969.600113.1Q342 S343 M344 A350Q342-E346 PolarHBondContact NE2-OE2 2.77Å; Q342-E346 PolarHBondContact O-N 2.98Å; Q342-E346 VanDerWaalsContact O-N 3.08Å; S343-E346 PolarHBondContact O-N 2.62Å; M344-E346 VanDerWaalsContact C-N 3.3Å; M344-E346 PolarHBondContact O-N 2.86Å; E346-A350 PolarHBondContact O-N 3.32Å
347D60.7Low68.4Low119 Ų119104.7 Ų104.764%0.63658%0.578SS**Hα-helixtrans-79-32.3178.8-115.6-87.7000113.4S343 M344 S351S343-D347 PolarHBondContact O-N 3.44Å; M344-D347 PolarHBondContact O-N 3.05Å; D347-S351 PolarHBondContact O-N 3.17Å; D347-S351 PolarHBondContact O-OG 2.69Å
348D57.4Low66.7Low121 Ų121116.1 Ų116.165%0.64763%0.629SS**Hα-helixtrans-71.2-33.8176.7-106.2-79.3000112.4M344M344-D348 PolarHBondContact O-N 3.47Å; M344-D348 VanDerWaalsContact O-N 3.16Å
349D54.5Low65.7Low136 Ų136116.9 Ų116.973%0.72763%0.634SS**Hα-helixtrans-73.4-30.7176.4-156.6-107.8000111.8S351D349-S351 VanDerWaalsContact C-N 3.3Å; D349-S351 PolarHBondContact O-N 3.3Å
350A58.5Low64.5Low78 Ų78118.2 Ų118.265%0.64565%0.646SS**Hα-helixtrans-71.8-20177.900000113.9E346E346-A350 PolarHBondContact O-N 3.32Å
351S60.3Low63.2Low96 Ų96124.6 Ų124.667%0.67168%0.681SS**THydrogen-bonded Turntrans-87.1-0.8-176.7-69.10000114.6D347 D349D347-S351 PolarHBondContact O-N 3.17Å; D347-S351 PolarHBondContact O-OG 2.69Å; D349-S351 VanDerWaalsContact C-N 3.3Å; D349-S351 PolarHBondContact O-N 3.3Å
352L54.9Low61.9Low144 Ų144126.9 Ų126.975%0.75470%0.695SS**THydrogen-bonded Turntrans-94.112.9-172.8-123.3130.4000115.4P354L352-P354 VanDerWaalsContact O-CD 3.3Å; L352-P354 WeakPolarHBondContact O-CD 3.4Å
353E53.3Low60.5Low184 Ų184128.5 Ų128.586%0.8671%0.709SS**  trans-82.7115.3173.2-136.4176.9102.500111.4
354P58Low59.1Low100 Ų100134.2 Ų134.265%0.64974%0.736SS**PPolyproline II helixtrans-70.6148.1-177.628.1-33.7000111.7L352 Q356L352-P354 VanDerWaalsContact O-CD 3.3Å; L352-P354 WeakPolarHBondContact O-CD 3.4Å; P354-Q356 PolarHBondContact O-N 3Å
355P56.1Low58.1Low130 Ų130138.2 Ų138.284%0.84476%0.761SS**PPolyproline II helixtrans-69.6116.7-172.328.8-33.4000110.7A357P355-A357 PolarHBondContact O-N 2.95Å
356Q55.7Low57.3Low192 Ų192137.7 Ų137.790%0.89777%0.767SS**PPolyproline II helixtrans-75.8120.7163-78.1-162.11700109.6P354P354-Q356 PolarHBondContact O-N 3Å
357A55Low56.6Low99 Ų99138.8 Ų138.882%0.81878%0.783SS**PPolyproline II helixtrans-56.2132.1169.600000111.6P355P355-A357 PolarHBondContact O-N 2.95Å
358Q55.3Low56.3Low266 Ų266140.5 Ų140.5100%1.24380%0.796SS**  trans-144.80146.6-160.2148.79100110.5

Retrieved 358 of 358 residues in 85.6 ms (Link to these results)

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